NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4330 8.2893 120.3259 54.2508 33.3539 174.7126 8 P 4.4034 0.0000 0.0000 61.1926 32.0658 173.7457 9 Q 4.6562 8.2948 115.4993 54.6640 32.4028 175.0485 10 F 4.4561 8.4465 120.1144 56.3216 42.0857 173.5308 11 N 4.4912 7.8739 126.7012 52.1507 38.7804 174.2568 12 L 4.2323 8.0364 126.0202 54.2943 42.5134 177.5098 13 R 4.4455 8.2203 120.3187 54.0514 31.1959 174.5125 14 W 5.1973 8.1618 121.1293 53.3273 32.8398 174.5772 15 P 4.4148 0.0000 0.0000 62.5825 32.3036 177.4888 16 R 3.9194 8.8555 122.0378 59.8430 29.9650 178.3979 17 E 3.9548 8.1602 117.5348 59.5335 29.5857 179.3898 18 V 3.5756 7.6927 117.4729 66.0395 31.7758 177.6837 19 L 4.3679 8.4302 120.2270 58.1288 41.9410 178.2908 20 D 4.5205 8.3655 118.3210 56.1034 40.9281 178.4146 21 L 3.9997 7.7070 121.2728 57.7713 42.0117 179.0438 22 V 3.4771 8.3311 118.6285 66.1535 31.5158 177.9718 23 R 3.8724 8.0355 117.8376 59.2790 29.8782 178.9078 24 K 3.8639 7.8379 118.4832 59.7048 32.0778 179.3342 25 V 3.4891 7.4213 110.9754 64.1718 31.6126 178.1216 26 A 3.8242 7.7878 120.7720 55.1657 18.2863 178.9812 27 E 3.8258 8.3411 117.6040 59.7344 29.4091 178.9166 28 E 4.0114 8.0605 117.8315 58.6232 29.7799 177.5861 29 N 4.7085 8.2807 114.9549 52.7262 39.0757 175.0961 30 G 3.8413 8.4736 108.6635 46.3687 0.0000 173.0035 31 M 4.8619 7.7010 114.9851 52.0555 34.8209 174.7915 32 S 4.4406 8.3084 113.8269 57.8755 65.3692 175.3994 33 V 3.6475 8.1799 121.8758 66.1913 31.2939 177.4629 34 N 4.2680 8.2526 116.3656 57.1785 38.6620 176.7836 35 S 4.1955 7.9321 116.3345 61.4274 62.9869 175.7163 36 Y 4.0252 8.1965 122.3059 61.0901 38.5084 178.5278 37 I 3.6769 7.9909 120.4727 64.3431 37.1730 177.7402 38 Y 3.9945 7.8467 120.5150 60.9224 38.1586 178.1784 39 Q 3.9403 8.6134 120.6879 59.0588 28.9562 178.1609 40 L 3.8654 7.3965 119.6292 57.1106 41.6290 179.6083 41 V 3.1213 7.5271 118.4635 66.1546 31.2932 178.1063 42 M 3.7092 7.4650 117.1030 57.9804 31.7428 178.4445 43 E 4.0356 7.4458 118.7042 59.1961 29.7285 179.1999 44 S 4.0770 7.5035 114.1866 61.6190 62.6722 176.6348 45 F 4.5555 7.3388 119.9394 60.3075 38.7420 177.5095 46 K 4.2563 7.8449 119.2898 58.9994 31.9324 178.4598 47 K 4.3286 7.7061 128.3297 56.8792 31.9088 181.5454 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 7 M 8.29 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 8 P 0.00 4.40 0.00 2.31 2.10 0.00 3.75 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 2.02 2.05 0.00 9 Q 8.29 4.66 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 10 F 8.45 4.46 0.00 2.98 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 11 N 7.87 4.49 0.00 2.52 2.45 0.00 0.00 7.21 7.78 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 12 L 8.04 4.23 0.00 1.20 0.69 -0.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.22 4.45 0.00 1.81 1.87 0.00 3.13 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 14 W 8.16 5.20 0.00 3.28 3.03 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 15 P 0.00 4.41 0.00 2.17 1.99 0.00 3.64 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 16 R 8.86 3.92 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.77 0.00 17 E 8.16 3.95 0.00 2.10 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 0.00 2.40 2.44 0.00 18 V 7.69 3.58 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 0.84 0.00 0.00 0.84 0.00 0.00 19 L 8.43 4.37 0.00 2.08 1.75 0.95 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.37 4.52 0.00 2.96 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 21 L 7.71 4.00 0.00 1.88 1.86 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.33 3.48 2.35 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 1.21 0.00 0.00 1.24 0.00 0.00 23 R 8.04 3.87 0.00 2.05 1.97 0.00 3.41 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 24 K 7.84 3.86 0.00 2.03 1.93 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 25 V 7.42 3.49 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 0.73 0.00 0.00 0.34 0.00 0.00 26 A 7.79 3.82 1.31 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 0.00 0.00 27 E 8.34 3.83 0.00 2.06 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 0.00 2.30 2.33 0.00 28 E 8.06 4.01 0.00 2.15 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 0.00 2.31 2.33 0.00 29 N 8.28 4.71 0.00 2.93 2.92 0.00 0.00 7.03 7.22 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 30 G 8.47 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 31 M 7.70 4.86 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 32 S 8.31 4.44 0.00 4.09 4.04 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 33 V 8.18 3.65 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 1.07 0.00 0.00 0.94 0.00 0.00 34 N 8.25 4.27 0.00 2.87 2.81 0.00 0.00 7.18 7.62 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 35 S 7.93 4.20 0.00 3.94 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 36 Y 8.20 4.03 0.00 3.26 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 37 I 7.99 3.68 1.95 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 1.67 0.65 1.00 0.00 0.00 38 Y 7.85 3.99 0.00 3.10 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 3.94 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 40 L 7.40 3.87 0.00 1.67 1.52 0.79 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.53 3.12 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 0.39 0.00 0.00 0.82 0.00 0.00 42 M 7.46 3.71 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.58 0.00 43 E 7.45 4.04 0.00 2.05 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 2.25 2.34 0.00 44 S 7.50 4.08 0.00 3.95 3.98 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 45 F 7.34 4.56 0.00 3.09 3.03 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 46 K 7.84 4.26 0.00 1.82 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.64 1.59 7.81 47 K 7.71 4.33 0.00 1.89 1.57 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.32 7.81