NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4986 8.1633 120.2753 55.1343 34.4595 173.8282 2 L 5.0247 8.2944 121.0055 51.3694 44.3064 174.0321 3 I 4.9630 9.7169 118.6948 58.9507 42.2862 173.8665 4 K 5.0973 8.8816 121.0729 54.5224 35.5918 175.8109 5 V 4.7825 8.9377 123.3503 61.1185 34.3284 173.9125 6 K 5.1093 8.8317 130.2667 54.8499 34.4073 176.2282 7 T 4.6944 8.4969 117.4453 60.7474 69.8562 175.6338 8 L 4.1623 8.3563 121.4955 57.0779 41.6946 178.3165 9 T 4.2101 7.3351 107.8243 61.1169 69.3725 175.2878 10 G 4.0989 7.9643 110.3860 45.2889 0.0000 174.6334 11 K 4.0600 8.2261 119.3871 57.4605 33.6453 175.5553 12 E 5.0003 8.7294 121.7747 54.7272 31.8051 175.1982 13 I 4.5265 8.7737 125.5162 59.3522 40.3304 174.0756 14 E 5.0340 8.7712 126.8285 54.5409 31.4043 174.9003 15 I 4.6721 8.9250 127.5025 59.4379 41.2512 173.7763 16 D 5.5924 8.5979 124.1041 52.6785 42.9717 175.0945 17 I 4.7987 8.7889 118.5378 59.8080 41.1432 173.9279 18 E 4.6773 9.9483 123.2302 54.1112 31.5868 175.7888 19 P 4.1626 0.0000 0.0000 65.7444 31.5736 178.2406 20 T 4.1730 7.7289 110.5217 63.2198 67.9591 174.2892 21 D 4.5282 8.0980 122.5651 54.1845 41.7540 176.4050 22 K 4.6490 8.3668 122.4807 55.7677 33.1293 178.2832 23 V 3.6452 8.5860 119.8383 65.9623 31.0826 177.8193 24 E 3.8949 8.1418 119.4108 59.3597 29.5519 178.8620 25 R 4.7848 7.7661 119.4683 58.7081 30.0697 178.6787 26 I 3.6754 7.5204 119.4680 64.3436 37.2875 178.1559 27 K 4.1550 8.1180 120.7616 58.9007 31.7954 179.2639 28 E 3.9700 8.0277 118.5042 59.5449 28.1438 179.5718 29 R 3.9630 7.9363 117.8693 59.0369 30.0298 179.4371 30 V 3.6645 7.6484 118.2519 65.9876 31.0984 177.6691 31 E 4.0266 8.1900 119.0542 59.3996 29.1915 178.5370 32 E 4.0501 8.1712 117.7413 58.5839 29.5363 178.4439 33 K 4.5558 7.3355 116.2346 56.1654 33.6736 176.7223 34 E 4.5852 7.9544 116.4671 54.7588 30.8213 175.8835 35 G 3.9827 7.8412 106.2992 46.8592 0.0000 174.3396 36 I 4.3560 7.4945 118.8251 58.1754 39.2639 174.4244 37 P 4.5068 0.0000 0.0000 61.5927 31.9878 175.5374 38 P 4.2348 0.0000 0.0000 65.7457 31.4823 178.3714 39 Q 4.0651 8.1411 117.5720 58.7921 29.0940 176.7809 40 Q 4.4537 8.1914 115.0493 55.7243 28.8815 174.5771 41 Q 4.9161 8.1875 118.6724 54.5002 31.5865 174.9389 42 R 4.8401 8.4523 120.4687 54.5481 34.4659 174.1077 43 L 5.3863 8.5932 123.2348 52.7885 45.0498 175.3359 44 I 5.0748 8.6954 115.9741 59.4843 40.9545 173.6894 45 Y 5.0257 8.8268 124.5123 56.7407 42.7450 174.4257 46 S 3.1394 8.7096 118.6276 59.6289 60.5562 173.4494 47 G 3.9163 8.7704 104.2515 45.7667 0.0000 173.3197 48 K 4.6273 7.8400 118.3486 54.3986 36.4216 175.4328 49 Q 4.6183 8.4012 118.8430 56.4419 30.0478 174.9848 50 M 4.3260 8.1195 119.2452 52.9852 34.3760 175.4276 51 N 4.3627 9.9496 123.7303 53.9830 39.5967 175.0488 52 D 4.5923 9.1201 127.8384 57.7346 41.1391 179.2246 53 E 4.1887 8.7722 117.2153 57.9038 30.0075 177.2438 54 K 4.3227 8.4322 119.4449 55.8057 33.1592 176.3648 55 T 4.9671 8.3060 111.2232 59.9955 70.7454 175.8471 56 A 4.0119 8.5634 124.1389 55.2142 18.8850 180.1393 57 A 3.9882 8.2618 119.1009 55.6115 18.6114 179.3404 58 D 4.3587 7.7590 114.2162 57.5718 40.8724 177.5171 59 Y 4.4667 7.6757 113.7793 57.0800 38.0121 175.4682 60 K 4.0011 8.5830 118.3504 57.2249 30.2989 175.9471 61 I 3.7392 7.7906 118.5826 61.6294 37.6697 175.3649 62 L 4.8480 8.5096 122.3111 52.4536 45.8710 176.1681 63 G 3.8108 8.4385 109.0244 47.2761 0.0000 174.3032 64 G 3.9616 8.9915 112.9871 44.9259 0.0000 173.9281 65 S 4.3030 8.0332 116.8195 58.6248 64.1353 173.6511 66 V 4.5867 8.5170 123.7458 61.4114 32.6073 174.6252 67 L 4.8017 8.9555 129.0336 53.9689 43.8375 175.5075 68 H 5.2498 9.0632 119.5608 54.1313 31.2957 173.3375 69 L 5.1697 8.9050 125.7100 53.3679 43.4994 175.8976 70 V 4.5539 8.5715 125.3802 59.8448 34.4634 175.1641 71 L 4.5756 8.6833 123.5088 53.7383 42.9108 176.2802 72 A 3.9178 8.2011 122.7049 52.8463 18.5725 177.1978 73 L 4.6852 8.4887 122.4546 53.1196 44.0007 175.8288 74 R 4.5325 7.5599 117.3145 55.0708 32.1728 173.6919 75 G 4.0248 7.4950 107.6011 45.7746 0.0000 173.2619 76 G 3.7077 8.3870 107.3983 45.5589 0.0000 172.7850 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 8.16 4.50 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 2 L 8.29 5.02 0.00 1.63 1.55 0.91 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 3 I 9.72 4.96 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.28 0.89 0.00 0.00 4 K 8.88 5.10 0.00 1.65 1.67 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.32 7.81 5 V 8.94 4.78 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 1.01 0.00 0.00 0.88 0.00 0.00 6 K 8.83 5.11 0.00 1.83 1.59 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.52 7.81 7 T 8.50 4.69 4.25 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 1.21 0.00 0.00 8 L 8.36 4.16 0.00 1.66 1.77 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.34 4.21 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 10 G 7.96 4.10 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 0.00 11 K 8.23 4.06 0.00 1.84 1.97 0.00 1.46 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.50 1.49 7.81 12 E 8.73 5.00 0.00 1.84 1.88 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 2.20 2.30 0.00 13 I 8.77 4.53 1.97 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 1.10 0.65 0.89 0.00 0.00 14 E 8.77 5.03 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.42 0.00 15 I 8.92 4.67 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.88 0.00 0.00 16 D 8.60 5.59 0.00 2.64 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.79 4.80 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.88 0.00 0.00 18 E 9.95 4.68 0.00 1.84 1.88 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 2.24 2.41 0.00 19 P 0.00 4.16 0.00 2.17 2.12 0.00 3.58 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 2.11 2.08 0.00 20 T 7.73 4.17 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 21 D 8.10 4.53 0.00 2.81 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.65 0.00 1.83 1.99 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.44 7.81 23 V 8.59 3.65 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 1.07 0.00 0.00 1.08 0.00 0.00 24 E 8.14 3.89 0.00 2.25 1.94 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 2.31 2.32 0.00 25 R 7.77 4.78 0.00 2.00 2.08 0.00 3.24 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 26 I 7.52 3.68 2.00 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 1.61 0.77 0.86 0.00 0.00 27 K 8.12 4.16 0.00 1.92 1.86 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.56 7.81 28 E 8.03 3.97 0.00 2.12 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 2.32 2.65 0.00 29 R 7.94 3.96 0.00 1.97 1.97 0.00 3.43 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 30 V 7.65 3.66 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 31 E 8.19 4.03 0.00 2.24 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 0.00 2.30 2.42 0.00 32 E 8.17 4.05 0.00 2.17 2.00 0.00 0.00 0.00 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 2.64 0.00 33 K 7.34 4.56 0.00 1.84 1.82 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.43 7.81 34 E 7.95 4.59 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 2.22 2.35 0.00 35 G 7.84 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 0.00 0.00 0.00 36 I 7.49 4.36 1.86 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 1.53 0.97 0.91 0.00 0.00 37 P 0.00 4.51 0.00 2.17 2.00 0.00 3.88 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 38 P 0.00 4.23 0.00 2.17 2.10 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 Q 8.14 4.07 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 40 Q 8.19 4.45 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.54 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 41 Q 8.19 4.92 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 42 R 8.45 4.84 0.00 1.75 1.75 0.00 3.23 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 43 L 8.59 5.39 0.00 1.48 1.45 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.70 5.07 1.95 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 1.34 1.00 0.91 0.00 0.00 45 Y 8.83 5.03 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 3.14 0.00 3.80 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.77 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 48 K 7.84 4.63 0.00 1.86 1.71 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.39 7.81 49 Q 8.40 4.62 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 50 M 8.12 4.33 0.00 1.30 1.82 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.63 0.00 51 N 9.95 4.36 0.00 2.88 2.95 0.00 0.00 6.72 8.95 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 52 D 9.12 4.59 0.00 2.84 2.77 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 0.00 0.00 0.00 0.00 53 E 8.77 4.19 0.00 2.13 2.02 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 2.36 2.44 0.00 54 K 8.43 4.32 0.00 2.19 1.65 0.00 1.65 0.00 0.00 1.27 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 55 T 8.31 4.97 4.43 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 1.28 0.00 0.00 56 A 8.56 4.01 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.26 3.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.36 0.00 2.69 2.40 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 59 Y 7.68 4.47 0.00 2.99 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 60 K 8.58 4.00 0.00 2.01 1.99 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 61 I 7.79 3.74 1.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 0.67 0.00 0.00 62 L 8.51 4.85 0.00 1.68 1.53 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.44 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.99 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 65 S 8.03 4.30 0.00 3.73 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 8.52 4.59 2.12 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 0.70 0.00 0.00 0.94 0.00 0.00 67 L 8.96 4.80 0.00 1.50 1.49 0.75 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.06 5.25 0.00 3.14 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.91 5.17 0.00 1.56 1.55 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.57 4.55 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 0.85 0.00 0.00 0.93 0.00 0.00 71 L 8.68 4.58 0.00 1.55 1.63 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.20 3.92 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 73 L 8.49 4.69 0.00 1.62 1.57 0.92 0.90 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 74 R 7.56 4.53 0.00 1.86 1.88 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 75 G 7.50 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 0.00 0.00 0.00 76 G 8.39 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00