NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2859 8.3044 120.3498 54.4569 33.3617 174.1655 2 K 3.5146 8.6435 122.5751 56.4864 32.0173 175.0083 3 R 4.3458 8.2690 126.0211 55.6257 31.8771 177.0353 4 T 4.1377 8.4176 107.9552 62.7528 68.7622 173.9679 5 F 4.8836 7.9820 124.6758 56.8651 40.5913 174.5068 6 Q 4.1387 8.1287 127.7471 52.4061 29.5325 173.3556 7 P 3.8887 0.0000 0.0000 63.2909 31.7253 177.9306 8 S 4.4372 8.1075 111.7146 56.5618 63.9215 176.1250 9 V 3.6335 8.0948 130.5724 65.2797 31.0677 177.6897 10 L 3.9072 7.9279 120.3218 57.6925 42.0098 178.7199 11 K 3.9298 7.9183 118.6267 59.3381 32.5696 178.2249 12 R 3.8986 8.4168 119.3252 59.6666 29.7693 177.5980 13 N 4.3687 8.2248 116.2527 56.4197 39.0296 177.0568 14 R 3.9852 7.8194 118.5485 58.4952 30.1009 177.0580 15 S 4.7746 7.6859 111.9236 58.4837 63.3040 174.2156 16 H 4.7580 7.7391 112.4663 55.1895 31.9631 173.9482 17 G 3.8895 8.6981 109.8011 44.8105 0.0000 174.3495 18 F 4.1635 8.9476 120.6455 61.6324 39.3734 177.1254 19 R 3.8110 8.3269 116.6292 59.4941 29.6659 178.4864 20 A 4.1647 7.5219 118.7252 54.2191 18.3033 179.2085 21 R 3.9217 8.1058 118.2198 59.1862 30.0046 177.4815 22 M 4.0116 7.4055 114.8156 55.9182 33.6637 176.4641 23 A 4.4881 6.7754 121.4284 49.0730 16.5124 177.2089 24 T 4.0773 6.3969 117.6659 61.4430 70.5617 172.7837 25 K 4.0565 8.8363 129.2820 57.3900 32.5558 176.1735 26 N 4.7629 7.7433 113.8428 54.3347 40.3644 175.5730 27 G 3.9238 7.7931 103.4493 46.8935 0.0000 175.4784 28 R 3.7792 8.5071 121.6560 58.2522 28.8366 178.1241 29 Q 3.8757 8.1344 118.7424 58.1914 29.0615 178.3047 30 V 3.7838 8.4907 119.9157 66.1442 31.4503 176.9865 31 L 4.3055 8.6167 116.7152 55.3326 41.2462 178.3867 32 A 4.1754 7.5834 121.8151 54.8448 19.0225 180.2155 33 R 4.0710 7.8613 114.0401 58.4820 30.3729 179.0842 34 R 4.0757 7.9298 118.3047 59.3503 30.2249 178.8469 35 R 4.1326 7.8366 116.5729 57.8929 30.0672 178.4266 36 A 4.1746 7.9042 119.8160 53.7395 18.4901 178.5130 37 K 4.3831 7.5158 115.0784 55.9029 32.8817 175.7446 38 G 3.7417 8.5503 108.2405 41.5367 0.0000 170.1241 39 R 3.6062 8.0933 129.2285 54.4764 30.2279 175.5447 40 A 3.6549 8.1352 127.6972 55.9939 18.9269 177.6374 41 R 4.2579 7.6301 121.3091 54.0279 29.4537 177.3084 42 L 4.1155 8.2250 125.3080 57.9861 42.3628 178.0740 43 T 4.2628 7.9901 107.1772 62.8551 70.6019 173.5907 44 V 3.3054 7.6961 112.6219 62.9103 28.9019 174.1533 45 S 4.6454 7.9727 112.5261 58.2300 63.5805 174.4582 46 K 4.1861 7.8454 125.8556 56.9506 32.2620 175.8719 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 M 8.30 4.29 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 K 8.64 3.51 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.66 7.81 3 R 8.27 4.35 0.00 1.92 1.90 0.00 3.37 0.00 0.00 3.43 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 4 T 8.42 4.14 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 1.24 0.00 0.00 5 F 7.98 4.88 0.00 2.83 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 6 Q 8.13 4.14 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 7 P 0.00 3.89 0.00 2.02 1.75 0.00 3.42 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 8 S 8.11 4.44 0.00 3.98 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 9 V 8.09 3.63 2.09 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 0.80 0.00 0.00 0.95 0.00 0.00 10 L 7.93 3.91 0.00 1.73 1.72 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.92 3.93 0.00 1.87 1.90 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.51 7.81 12 R 8.42 3.90 0.00 1.95 2.17 0.00 3.20 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 13 N 8.22 4.37 0.00 2.90 3.02 0.00 0.00 6.82 7.81 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 14 R 7.82 3.99 0.00 2.11 1.97 0.00 3.28 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 15 S 7.69 4.77 0.00 3.97 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 0.00 16 H 7.74 4.76 0.00 3.38 3.31 0.00 5.85 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 17 G 8.70 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.95 4.16 0.00 3.07 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 19 R 8.33 3.81 0.00 1.92 1.99 0.00 3.24 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 20 A 7.52 4.16 1.25 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 0.00 0.00 21 R 8.11 3.92 0.00 1.90 1.88 0.00 3.12 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 22 M 7.41 4.01 0.00 1.47 1.19 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 23 A 6.78 4.49 1.25 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 0.00 0.00 24 T 6.40 4.08 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 1.26 0.00 0.00 25 K 8.84 4.06 0.00 1.74 1.78 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 26 N 7.74 4.76 0.00 2.73 2.77 0.00 0.00 6.95 7.86 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 27 G 7.79 3.92 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 0.00 0.00 0.00 28 R 8.51 3.78 0.00 1.89 2.38 0.00 3.05 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 29 Q 8.13 3.88 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 30 V 8.49 3.78 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 0.98 0.00 0.00 0.95 0.00 0.00 31 L 8.62 4.31 0.00 1.87 1.74 0.98 0.42 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 32 A 7.58 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.07 0.00 1.78 2.01 0.00 3.27 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 34 R 7.93 4.08 0.00 1.96 2.00 0.00 3.46 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 35 R 7.84 4.13 0.00 1.94 1.98 0.00 3.14 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 36 A 7.90 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 4.38 0.00 1.97 1.85 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 38 G 8.55 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 39 R 8.09 3.61 0.00 1.93 1.96 0.00 3.32 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 40 A 8.14 3.65 1.24 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 0.00 0.00 0.00 41 R 7.63 4.26 0.00 1.89 1.91 0.00 3.14 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 42 L 8.23 4.12 0.00 1.59 1.72 0.97 0.98 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 43 T 7.99 4.26 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 44 V 7.70 3.31 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 0.76 0.00 0.00 0.95 0.00 0.00 45 S 7.97 4.65 0.00 4.06 4.11 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 46 K 7.85 4.19 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81