NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6471 8.4449 117.8335 55.6756 30.4057 172.7995 1 M 4.1210 8.1643 120.3602 54.0703 32.1016 174.3600 2 L 4.8502 8.1833 123.6806 52.3260 45.8242 175.7678 3 C 4.1877 8.7460 121.8188 59.4527 31.8936 174.8065 4 A 3.9741 7.8071 129.4780 54.3540 18.3779 178.7924 5 I 4.1550 7.8762 116.1304 63.6195 37.8654 177.3370 6 S 4.2531 8.1038 112.6425 58.6642 63.5242 175.2000 7 G 3.8788 8.3345 107.6787 45.5715 0.0000 173.0021 8 K 4.6217 7.5892 118.4998 53.6887 34.9679 176.0633 9 V 3.9499 8.1375 114.4107 60.8142 31.7002 174.8727 10 P 4.9826 0.0000 0.0000 61.9749 31.8810 177.0747 11 R 4.1374 8.8506 121.4873 58.7523 30.6060 177.0003 12 R 4.7422 7.7792 116.5439 53.2641 31.0525 172.4148 13 P 5.0049 0.0000 0.0000 62.7376 33.2002 176.2461 14 V 4.9363 8.9488 114.6087 59.6308 36.6841 173.9375 15 L 5.2333 8.8476 123.8891 53.4106 45.1281 175.1761 16 S 4.8283 9.0079 121.7698 56.9985 63.0553 173.3442 17 P 4.4143 0.0000 0.0000 65.2774 31.6102 178.0246 18 K 4.1087 7.8538 118.6386 59.3994 32.0348 178.3900 19 S 4.3943 8.1922 110.3535 58.1802 63.7528 173.8584 20 R 3.9650 7.8415 119.3353 57.9811 28.2440 175.8757 21 T 4.6484 7.6509 111.5165 61.6558 72.8265 173.9052 22 I 4.5859 7.8765 125.1432 61.1206 38.7978 174.9220 23 F 5.1224 9.1345 123.6527 55.2745 44.2805 173.8345 24 E 4.2181 8.8624 121.4016 56.0571 30.4024 177.0669 25 K 3.8730 8.9630 128.2654 60.0605 32.2363 179.0851 26 S 4.1780 8.0610 113.6369 61.3591 62.9035 176.2940 27 L 4.0092 7.8304 122.1044 57.5562 41.4793 179.0139 28 L 3.7512 7.9501 120.3311 57.9736 41.8636 178.7875 29 E 3.9379 8.2738 118.6058 59.5740 29.4349 179.4016 30 Q 3.9654 8.1768 118.0672 58.9848 28.2315 178.1022 31 Y 3.7850 8.1637 120.6516 60.6651 38.7472 178.4411 32 V 3.6467 8.1475 119.3436 65.8700 31.4193 177.9853 33 K 3.8638 8.0480 117.5508 59.6556 31.9473 178.7590 34 D 4.4019 7.8040 118.1773 56.9264 40.9212 177.9934 35 T 4.3453 7.5280 107.5331 60.4914 70.4108 175.5835 36 G 3.9051 8.3141 109.2678 45.6093 0.0000 172.3659 37 N 5.5507 7.8213 115.4079 50.7295 42.5590 173.6354 38 D 4.4646 8.9233 120.5373 53.4145 41.7700 175.7921 39 P 4.0271 0.0000 0.0000 64.4085 31.7800 177.5040 40 I 4.0780 8.2548 119.9073 63.3330 37.5544 176.8674 41 T 4.2175 8.0958 107.0790 61.0966 69.5626 174.9689 42 N 4.4249 8.1882 117.8989 53.8873 36.9791 174.0011 43 E 4.3424 7.7865 118.0124 55.2449 30.9277 174.6472 44 P 4.9789 0.0000 0.0000 63.3130 32.1179 175.6884 45 L 4.8853 8.9130 125.7885 53.7068 45.4290 175.5962 46 S 4.7764 9.3743 121.0487 56.5626 65.3525 175.2507 47 I 3.7271 8.2401 122.3407 64.6762 37.0048 178.4542 48 E 4.1299 7.4860 117.7324 58.7225 29.4174 177.9918 49 E 4.1490 7.8799 117.1508 58.3240 29.8380 177.3245 50 I 3.8260 7.3480 120.1288 61.3725 37.8417 175.9265 51 V 4.0651 8.7010 127.6864 61.7877 32.5944 174.6713 52 E 4.5399 8.7232 128.6261 55.9665 30.0432 176.5982 53 I 4.1171 8.0340 126.4624 60.6274 38.2147 176.1117 54 V 3.8564 8.2930 126.5019 61.4859 32.2506 174.0683 55 P 4.4333 0.0000 0.0000 63.0046 31.1094 176.0857 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 0 H 8.44 4.65 0.00 3.11 3.39 0.00 5.85 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 1 M 8.16 4.12 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 L 8.18 4.85 0.00 1.53 1.51 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.75 4.19 0.00 2.93 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 4 A 7.81 3.97 0.94 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 0.00 0.00 5 I 7.88 4.16 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.98 0.00 0.00 6 S 8.10 4.25 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.33 3.88 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 0.00 0.00 0.00 8 K 7.59 4.62 0.00 1.82 1.68 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.52 7.81 9 V 8.14 3.95 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.98 0.00 2.12 2.00 0.00 3.71 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 11 R 8.85 4.14 0.00 1.81 1.99 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 12 R 7.78 4.74 0.00 1.72 1.81 0.00 3.13 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 13 P 0.00 5.00 0.00 2.12 2.18 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 14 V 8.95 4.94 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 0.72 0.00 0.00 1.07 0.00 0.00 15 L 8.85 5.23 0.00 1.74 1.51 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 S 9.01 4.83 0.00 4.00 3.94 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 17 P 0.00 4.41 0.00 2.23 2.19 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 18 K 7.85 4.11 0.00 1.97 2.12 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.49 1.53 7.81 19 S 8.19 4.39 0.00 4.04 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 0.00 20 R 7.84 3.96 0.00 1.98 2.04 0.00 3.10 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 1.59 1.59 0.00 21 T 7.65 4.65 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 0.56 0.00 0.00 22 I 7.88 4.59 1.71 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.86 0.00 0.00 23 F 9.13 5.12 0.00 2.87 2.86 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 0.00 0.00 0.00 0.00 24 E 8.86 4.22 0.00 2.09 1.90 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 2.41 2.40 0.00 25 K 8.96 3.87 0.00 2.05 1.83 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.49 7.81 26 S 8.06 4.18 0.00 4.10 4.12 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 27 L 7.83 4.01 0.00 1.92 1.82 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.95 3.75 0.00 1.43 1.54 -0.09 0.84 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 29 E 8.27 3.94 0.00 2.14 1.98 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 2.32 2.50 0.00 30 Q 8.18 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 31 Y 8.16 3.78 0.00 3.16 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 32 V 8.15 3.65 2.25 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 1.10 0.00 0.00 1.03 0.00 0.00 33 K 8.05 3.86 0.00 1.86 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 34 D 7.80 4.40 0.00 2.54 2.54 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 0.00 0.00 0.00 0.00 35 T 7.53 4.35 4.08 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 0.55 0.00 0.00 36 G 8.31 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 37 N 7.82 5.55 0.00 2.84 2.78 0.00 0.00 6.84 8.08 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 38 D 8.92 4.46 0.00 2.72 2.54 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 0.00 0.00 0.00 0.00 39 P 0.00 4.03 0.00 1.75 0.49 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.15 0.00 40 I 8.25 4.08 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.92 0.00 0.00 41 T 8.10 4.22 4.28 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 1.23 0.00 0.00 42 N 8.19 4.42 0.00 2.93 3.02 0.00 0.00 7.01 7.82 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 43 E 7.79 4.34 0.00 1.97 1.87 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 2.34 2.46 0.00 44 P 0.00 4.98 0.00 1.94 2.00 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 45 L 8.91 4.89 0.00 1.55 1.49 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.37 4.78 0.00 4.16 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 47 I 8.24 3.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.18 0.91 0.00 0.00 48 E 7.49 4.13 0.00 1.97 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 2.34 2.32 0.00 49 E 7.88 4.15 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 2.35 2.28 0.00 50 I 7.35 3.83 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.92 0.00 0.00 51 V 8.70 4.07 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 1.05 0.00 0.00 1.00 0.00 0.00 52 E 8.72 4.54 0.00 1.91 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 2.32 2.35 0.00 53 I 8.03 4.12 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.49 0.92 0.00 0.00 54 V 8.29 3.86 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 0.80 0.00 0.00 0.94 0.00 0.00 55 P 0.00 4.43 0.00 2.08 1.96 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00