NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4088 0.0000 0.0000 62.2703 32.5079 176.2727 2 K 4.1922 8.5080 122.4521 55.5679 33.5479 175.2752 3 I 3.9029 9.1990 122.4286 61.4628 38.5563 176.9663 4 K 4.5250 8.5060 124.2159 54.9821 33.3053 176.2431 5 T 4.2451 8.3888 114.5576 60.5485 69.8833 175.2853 6 V 3.7549 8.2612 125.7355 62.8001 29.5986 176.3397 7 R 3.8117 8.2723 123.3452 59.1635 30.2384 178.9572 8 G 3.9001 8.3060 106.0136 48.8737 0.0000 175.3637 9 A 4.0139 8.5362 122.8358 55.2405 18.4152 179.2255 10 A 4.2742 7.8784 115.9806 54.0528 18.3568 177.9430 11 K 4.5922 7.5811 113.6775 55.9880 32.1558 177.4452 12 R 4.4102 8.0746 115.6219 55.4927 33.2771 174.3900 13 F 5.4378 7.5521 114.9052 55.6626 43.6590 174.2574 14 K 4.4985 8.9199 114.1323 55.9144 35.7945 174.8476 15 K 4.0651 9.5736 126.3788 56.2759 32.7681 176.3221 16 T 4.7298 7.5636 114.8553 60.7793 69.9586 175.6057 17 G 3.8394 8.3454 110.4483 46.6520 0.0000 173.8673 18 K 4.1829 7.5941 120.2569 56.7618 36.7654 177.0739 19 G 3.5503 9.1211 105.2702 48.2049 0.0000 173.1688 20 G 3.9198 7.6939 108.4364 46.0467 0.0000 173.2324 21 F 5.2399 8.2961 111.8141 56.1512 44.2761 173.8675 22 K 3.9385 8.5009 124.5007 56.1751 32.5020 173.8951 23 H 4.7203 8.7463 116.0038 54.8805 30.8094 171.3012 24 K 4.5609 8.3088 120.0046 54.9334 33.6287 176.5473 25 H 4.3452 8.7136 122.9025 56.1133 29.0109 175.0026 26 A 4.4792 8.3360 124.6987 51.8995 20.9806 177.6325 27 N 4.3365 8.8628 113.1977 54.0271 36.2448 175.0924 28 L 4.6614 7.7496 120.0637 51.1984 41.7318 175.9926 29 R 5.3481 7.7243 126.8172 56.3075 30.1177 174.3663 30 H 4.6226 8.1200 117.0494 56.1420 32.5834 172.6687 31 I 3.1441 8.4959 119.7267 62.1915 35.5607 172.5778 32 L 4.5835 7.9518 124.5190 56.0449 44.4678 178.9470 33 T 3.5201 8.1340 111.8505 64.9340 67.1169 173.8917 34 K 4.4815 7.9452 117.6318 56.2607 32.8679 175.8674 35 K 4.5372 8.6344 119.4399 54.1769 34.7973 176.6082 36 A 4.0538 8.5478 124.9939 52.4634 19.6975 178.4810 37 T 3.7686 8.5802 115.5087 64.9828 68.7804 176.1100 38 K 3.6475 8.1182 122.0164 59.3950 31.8844 178.0587 39 R 3.8921 8.0113 117.5753 59.6039 29.9747 178.1178 40 K 4.1091 7.7700 117.5623 59.1436 32.0985 178.8486 41 R 3.8953 8.3639 119.3335 60.0495 29.5754 177.8251 42 H 4.6942 7.6650 111.2346 56.3334 28.4790 175.9792 43 L 4.5692 8.3723 122.5686 55.5155 44.2704 178.1676 44 R 4.0357 7.8457 117.3556 58.6456 30.0157 175.2373 45 P 4.4834 0.0000 0.0000 62.6800 31.9657 174.8359 46 K 4.6723 8.5849 117.2151 53.9758 33.5885 176.5035 47 A 4.5537 8.0473 126.4285 50.8132 21.4163 176.3151 48 M 4.4189 8.3357 119.2388 55.8547 33.5069 177.8536 49 V 3.9527 8.8526 120.3227 64.6070 30.4127 175.9985 50 S 4.5194 9.6144 117.2176 57.4815 68.3158 177.4945 51 K 3.9092 8.5984 119.4710 56.8678 31.1680 174.6281 52 G 3.9708 7.9345 103.0931 48.1155 0.0000 174.0166 53 D 4.5799 8.1524 118.8749 53.8204 41.7727 178.1810 54 L 3.9530 8.3435 122.3624 58.6007 41.6880 178.8629 55 G 3.9640 8.1433 103.2835 48.3040 0.0000 174.4892 56 L 3.9278 8.0201 122.4507 57.5767 42.0738 178.7873 57 V 3.1416 7.3928 117.5157 65.7297 31.4176 179.9469 58 I 4.2271 7.1434 111.8093 59.9236 37.1238 176.0019 59 A 4.6018 7.5230 121.0028 54.0351 25.2080 177.6426 60 C 4.5117 8.4071 113.0353 60.0489 29.3474 173.6958 61 L 4.8727 7.1805 119.3493 52.9477 42.1728 175.9543 62 P 4.2906 0.0000 0.0000 66.2512 31.7735 180.2166 63 Y 4.3874 7.8529 114.2307 58.0710 37.3597 175.8012 64 A 4.3902 7.6453 127.0486 52.4819 19.3920 176.6717 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 P 0.00 4.41 0.00 2.21 2.15 0.00 3.74 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 1.90 1.97 0.00 2 K 8.51 4.19 0.00 2.17 2.02 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 I 9.20 3.90 1.92 0.00 0.00 0.80 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 0.55 0.97 0.00 0.00 4 K 8.51 4.53 0.00 1.77 1.76 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.43 7.81 5 T 8.39 4.25 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 1.37 0.00 0.00 6 V 8.26 3.75 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 1.04 0.00 0.00 0.93 0.00 0.00 7 R 8.27 3.81 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.35 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 8 G 8.31 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.54 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.27 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 11 K 7.58 4.59 0.00 1.94 1.80 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.59 7.81 12 R 8.07 4.41 0.00 1.09 1.27 0.00 3.08 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 13 F 7.55 5.44 0.00 2.83 2.91 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 14 K 8.92 4.50 0.00 1.86 1.97 0.00 1.44 0.00 0.00 2.02 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.50 7.81 15 K 9.57 4.07 0.00 1.77 1.72 0.00 1.50 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.24 0.89 7.81 16 T 7.56 4.73 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 1.27 0.00 0.00 17 G 8.35 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 18 K 7.59 4.18 0.00 1.90 1.71 0.00 1.16 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.21 7.81 19 G 9.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.69 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 21 F 8.30 5.24 0.00 3.24 3.23 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 0.00 0.00 0.00 0.00 22 K 8.50 3.94 0.00 1.92 1.84 0.00 2.01 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.59 7.81 23 H 8.75 4.72 0.00 3.09 3.33 0.00 5.47 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.31 4.56 0.00 1.66 1.69 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.35 7.81 25 H 8.71 4.35 0.00 3.39 3.22 0.00 5.74 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 26 A 8.34 4.48 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 27 N 8.86 4.34 0.00 2.88 2.95 0.00 0.00 6.50 7.85 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 28 L 7.75 4.66 0.00 1.57 1.55 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.72 5.35 0.00 2.00 2.03 0.00 3.12 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 30 H 8.12 4.62 0.00 3.05 3.13 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.50 3.14 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.78 0.00 0.00 32 L 7.95 4.58 0.00 1.70 1.62 0.93 0.66 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 33 T 8.13 3.52 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 1.21 0.00 0.00 34 K 7.95 4.48 0.00 1.89 1.87 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.44 7.81 35 K 8.63 4.54 0.00 1.77 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.33 7.81 36 A 8.55 4.05 1.27 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 0.00 0.00 0.00 37 T 8.58 3.77 4.22 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 1.20 0.00 0.00 38 K 8.12 3.65 0.00 1.80 1.83 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.49 1.44 7.81 39 R 8.01 3.89 0.00 1.83 2.19 0.00 3.28 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 40 K 7.77 4.11 0.00 2.04 1.81 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.61 7.81 41 R 8.36 3.90 0.00 1.75 1.97 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 42 H 7.67 4.69 0.00 3.17 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.37 4.57 0.00 1.73 1.65 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.85 4.04 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 45 P 0.00 4.48 0.00 2.20 2.11 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 46 K 8.58 4.67 0.00 1.62 1.91 0.00 1.87 0.00 0.00 0.61 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.19 7.81 47 A 8.05 4.55 1.10 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 0.00 0.00 48 M 8.34 4.42 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 49 V 8.85 3.95 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 0.87 0.00 0.00 1.25 0.00 0.00 50 S 9.61 4.52 0.00 4.02 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 51 K 8.60 3.91 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 52 G 7.93 3.97 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 0.00 0.00 0.00 53 D 8.15 4.58 0.00 2.74 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 54 L 8.34 3.95 0.00 1.85 1.70 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.14 3.96 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 0.00 0.00 0.00 56 L 8.02 3.93 0.00 1.95 1.47 0.88 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.39 3.14 0.99 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 -0.81 0.00 0.00 0.50 0.00 0.00 58 I 7.14 4.23 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 1.22 0.00 0.00 59 A 7.52 4.60 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 60 C 8.41 4.51 0.00 2.81 2.91 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 61 L 7.18 4.87 0.00 1.54 1.60 0.80 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.29 0.00 1.98 2.03 0.00 3.71 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 2.02 2.16 0.00 63 Y 7.85 4.39 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.39 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