NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5138 8.1633 118.3267 55.3738 33.6523 173.4150 2 Q 5.5323 8.4797 116.4459 51.5027 32.5082 173.4515 3 I 4.6885 8.4864 115.4620 59.4178 42.3399 173.0534 4 F 5.3481 9.0471 121.1163 55.6412 42.3101 174.8361 5 V 4.8022 8.8822 122.5721 61.2518 33.9579 174.2953 6 K 5.2804 9.0443 127.8783 54.9040 35.1680 176.2006 7 T 4.8400 8.2689 113.8808 59.5684 70.8721 174.3311 8 L 4.4773 8.3778 119.4857 55.1244 41.4503 177.5696 9 T 4.4825 7.6558 107.2087 61.0941 69.1825 174.1110 10 G 4.0997 8.4362 111.2854 45.9264 0.0000 174.7365 11 K 4.2797 8.0446 120.9225 56.8105 33.5929 176.0592 12 T 5.3702 8.3281 122.0081 62.0682 72.4522 173.1538 13 I 4.7789 8.9014 118.8363 59.3929 41.2858 174.0696 14 T 4.8521 8.5394 117.8790 60.5633 69.5862 173.4276 15 L 4.8089 8.2789 125.8358 52.9408 46.2526 175.4945 16 E 4.7614 8.7171 122.1029 55.7157 30.2107 175.6512 17 V 4.7240 8.9347 118.3309 59.5490 36.0918 174.7091 18 E 4.7956 8.8550 119.4335 53.9505 32.8526 175.8240 19 P 3.8139 0.0000 0.0000 65.9078 31.1420 177.7419 20 S 4.4533 7.8807 110.5321 58.7272 63.7372 173.8349 21 D 4.4625 8.7042 124.3457 54.3956 41.3996 176.4524 22 T 4.6828 8.2030 114.2695 61.0415 71.4501 175.9480 23 I 3.7793 8.4773 122.4628 64.4040 36.9821 178.7061 24 E 4.0192 8.2047 118.3021 59.4360 29.4646 179.0156 25 N 4.3130 7.9974 117.1029 56.1507 38.5756 177.5194 26 V 3.6164 7.6873 119.4827 65.8683 31.5981 178.2953 27 K 4.3162 8.4391 119.5269 58.8335 31.8548 179.1998 28 A 4.0402 8.2397 121.2254 55.0617 18.2471 179.8625 29 K 4.0125 7.9532 116.8376 59.4601 31.8204 179.7236 30 I 3.7594 7.8057 120.4130 64.2335 36.8905 178.2285 31 Q 4.3180 8.1805 124.3825 59.3717 28.6669 178.6189 32 D 4.3569 7.8706 121.3648 57.9402 39.8747 179.9886 33 K 4.3621 7.8161 119.5975 58.4839 32.6290 177.8328 34 E 4.5482 9.2246 116.8078 55.3346 30.6526 177.2244 35 G 3.9158 8.1830 106.8925 45.4224 0.0000 173.4385 36 I 4.0143 7.3668 121.3940 59.7469 37.9961 173.7138 37 P 4.4062 0.0000 0.0000 61.7427 31.8996 175.5987 38 P 4.2916 0.0000 0.0000 65.6767 31.3978 177.9823 39 D 4.4619 8.0359 115.7147 55.2018 39.8094 176.8189 40 Q 4.5712 8.2398 118.2318 55.7784 29.5934 175.2471 41 Q 4.8949 7.4782 117.9706 55.2681 31.1278 175.6270 42 R 4.6154 8.4821 120.4374 55.1663 34.4063 174.1263 43 L 5.0658 8.5910 124.5549 53.6713 43.8402 175.9046 44 I 5.1153 8.7569 123.3991 59.7584 41.1412 174.4048 45 F 4.8995 9.0071 126.3110 57.5588 43.3030 173.9324 46 A 3.1311 8.5780 127.4289 53.2179 15.9065 177.8432 47 G 3.9324 8.5608 104.6829 47.0905 0.0000 174.3328 48 K 4.6038 7.8001 117.6974 54.2407 35.6619 175.3163 49 Q 4.4650 8.5932 122.6659 56.5708 29.3633 175.7619 50 L 4.4010 8.8591 126.8882 54.2511 43.4605 175.8512 51 E 4.5949 9.3236 121.1317 55.0657 31.3856 176.8486 52 D 4.3904 9.2153 124.5895 57.8064 40.9487 178.9723 53 G 3.9006 8.0037 103.4801 46.1725 0.0000 173.6346 54 R 4.2312 7.8724 120.1363 55.4006 30.9775 176.2895 55 T 4.9134 8.3654 111.4585 60.2898 70.7681 175.9968 56 L 3.9114 8.4294 122.3030 57.9843 41.4171 180.1487 57 S 4.1010 7.9286 114.2734 61.4053 62.6987 176.1631 58 D 4.3411 7.6203 121.9241 56.7828 40.5352 177.3466 59 Y 4.6830 7.0761 113.8782 56.7496 38.2662 175.0186 60 N 4.2187 8.2829 117.5412 54.4225 38.0805 173.7936 61 I 3.6109 7.8865 117.8025 60.5306 37.5866 175.5704 62 Q 4.7463 8.6177 124.9569 53.0971 31.8067 174.8120 63 K 4.2574 8.2725 117.6265 58.8191 32.7275 177.1256 64 E 4.2235 9.3352 120.4673 56.6762 28.0966 174.9029 65 S 4.6109 7.9211 115.6610 58.8719 64.5100 173.1829 66 T 5.1544 8.6315 117.6155 62.0980 70.6849 173.6910 67 L 5.0294 9.4993 127.1523 53.5565 44.6485 175.2088 68 H 5.3474 9.0439 118.8167 54.0395 31.5543 173.1579 69 L 5.1395 9.1580 124.3353 53.3461 44.4037 175.2964 70 V 4.4956 8.6638 125.5648 61.1431 34.8793 174.1187 71 L 5.0735 8.4149 124.5206 53.3791 44.0794 176.6855 72 R 4.2915 9.2806 122.1284 54.3048 32.2672 174.9774 73 L 4.6019 8.3885 129.5187 54.6325 39.7545 177.4213 74 R 3.8063 7.6979 122.6105 58.8944 31.1070 175.9830 75 G 4.0912 8.0830 109.4656 45.8202 0.0000 172.9239 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 4.51 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 2 Q 8.48 5.53 0.00 1.91 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 3 I 8.49 4.69 1.78 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 1.20 0.73 0.84 0.00 0.00 4 F 9.05 5.35 0.00 3.05 2.98 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 5 V 8.88 4.80 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.04 5.28 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.36 7.81 7 T 8.27 4.84 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 8 L 8.38 4.48 0.00 1.66 1.71 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.66 4.48 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 10 G 8.44 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 8.04 4.28 0.00 1.87 1.70 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.49 7.81 12 T 8.33 5.37 4.27 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 1.30 0.00 0.00 13 I 8.90 4.78 1.89 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 1.24 0.73 0.98 0.00 0.00 14 T 8.54 4.85 4.17 0.00 0.00 0.00 0.00 0.00 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 15 L 8.28 4.81 0.00 1.50 1.41 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.76 0.00 1.81 1.86 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 2.22 2.24 0.00 17 V 8.93 4.72 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 0.63 0.00 0.00 0.85 0.00 0.00 18 E 8.86 4.80 0.00 1.83 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 19 P 0.00 3.81 0.00 2.19 2.31 0.00 3.66 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 2.06 1.96 0.00 20 S 7.88 4.45 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.46 0.00 2.85 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.68 4.46 0.00 0.00 0.00 0.00 0.00 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 23 I 8.48 3.78 2.18 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 1.98 1.25 0.93 0.00 0.00 24 E 8.20 4.02 0.00 2.24 2.22 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 2.50 2.35 0.00 25 N 8.00 4.31 0.00 3.14 2.96 0.00 0.00 6.58 6.99 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 26 V 7.69 3.62 2.24 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 1.01 0.00 0.00 0.94 0.00 0.00 27 K 8.44 4.32 0.00 2.03 1.84 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.52 7.81 28 A 8.24 4.04 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 29 K 7.95 4.01 0.00 1.98 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.81 3.76 2.03 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 1.40 1.03 0.91 0.00 0.00 31 Q 8.18 4.32 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 32 D 7.87 4.36 0.00 2.84 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 33 K 7.82 4.36 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 34 E 9.22 4.55 0.00 1.92 1.96 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 2.26 2.44 0.00 35 G 8.18 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 36 I 7.37 4.01 1.88 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 1.42 1.13 0.92 0.00 0.00 37 P 0.00 4.41 0.00 2.18 1.97 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.29 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 39 D 8.04 4.46 0.00 3.05 2.80 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 0.00 0.00 0.00 40 Q 8.24 4.57 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 41 Q 7.48 4.89 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 42 R 8.48 4.62 0.00 1.79 1.80 0.00 3.41 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 43 L 8.59 5.07 0.00 1.59 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.76 5.12 1.93 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 1.12 0.78 0.94 0.00 0.00 45 F 9.01 4.90 0.00 3.00 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 46 A 8.58 3.13 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.56 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 0.00 0.00 0.00 48 K 7.80 4.60 0.00 1.91 1.84 0.00 1.36 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.31 7.81 49 Q 8.59 4.47 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 50 L 8.86 4.40 0.00 1.44 1.35 0.73 0.09 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 51 E 9.32 4.59 0.00 2.03 1.92 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 2.32 2.38 0.00 52 D 9.22 4.39 0.00 2.80 2.93 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 53 G 8.00 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 54 R 7.87 4.23 0.00 2.16 1.49 0.00 3.12 0.00 0.00 2.81 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 55 T 8.37 4.91 4.39 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 1.25 0.00 0.00 56 L 8.43 3.91 0.00 1.84 1.70 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.93 4.10 0.00 3.97 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 58 D 7.62 4.34 0.00 2.40 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 0.00 0.00 0.00 0.00 59 Y 7.08 4.68 0.00 2.97 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 60 N 8.28 4.22 0.00 2.89 3.00 0.00 0.00 7.14 7.56 0.00 0.00 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 I 7.89 3.61 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.62 0.00 0.00 62 Q 8.62 4.75 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 63 K 8.27 4.26 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.49 7.81 64 E 9.34 4.22 0.00 2.21 2.34 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 2.41 2.51 0.00 65 S 7.92 4.61 0.00 3.81 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 66 T 8.63 5.15 4.33 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 0.00 0.00 0.00 1.15 0.00 0.00 67 L 9.50 5.03 0.00 1.56 1.58 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.04 5.35 0.00 3.08 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.16 5.14 0.00 1.71 1.52 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.66 4.50 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.41 5.07 0.00 1.56 1.56 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.28 4.29 0.00 1.76 1.76 0.00 3.26 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 73 L 8.39 4.60 0.00 1.66 1.63 0.92 0.95 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 74 R 7.70 3.81 0.00 1.77 1.96 0.00 3.44 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 1.62 1.64 0.00 75 G 8.08 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00