NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4210 8.3049 120.3503 54.9520 33.4006 175.0925 2 I 3.6092 8.3878 127.3442 60.5806 37.8375 174.7814 3 N 4.7878 9.2422 124.8205 51.4965 39.9724 174.2380 4 E 4.0031 8.4915 126.9884 59.1962 29.7053 178.9021 5 I 3.7021 7.7443 119.1685 64.4088 37.2585 177.9466 6 E 3.9512 8.5468 120.0944 59.1853 29.4410 178.7919 7 I 3.7452 7.8534 119.8263 64.4793 37.2632 178.5429 8 K 4.0302 8.2035 119.1656 59.6773 31.8609 179.7484 9 R 4.0104 8.4383 118.7283 58.9498 29.9597 179.0098 10 K 3.9424 8.6000 120.0690 59.3496 32.1451 178.5081 11 F 4.1809 8.4255 121.1413 61.4272 39.2479 177.4110 12 G 3.7592 8.3313 106.5824 47.3132 0.0000 175.8444 13 R 3.8930 8.4237 120.9043 59.4192 30.0428 179.3536 14 T 3.6186 7.8396 115.4553 66.1581 68.3294 176.6101 15 L 4.0542 7.8450 122.3935 58.0241 42.1451 178.8270 16 K 3.9858 8.1374 119.7274 59.3817 32.0230 178.5426 17 K 3.8440 7.9880 119.6825 59.5976 32.1354 178.9007 18 I 3.7573 7.7398 120.1385 64.2880 37.0249 178.3410 19 R 3.8871 8.4313 120.1901 59.7069 29.9115 178.6948 20 T 3.8915 8.0659 109.6004 64.9004 68.5741 176.3988 21 Q 3.9954 8.0197 120.1319 58.5777 28.8785 178.4581 22 K 4.3105 7.8619 116.3705 55.9002 32.4068 177.1850 23 G 3.8272 7.8330 107.3661 46.5013 0.0000 173.5314 24 V 4.5754 7.8335 118.7421 59.8209 33.1275 176.3706 25 S 4.4847 8.5128 121.9282 57.7714 65.2778 175.1442 26 Q 3.9865 8.5588 121.2997 59.2722 28.3768 178.9934 27 E 3.9417 8.1046 119.6686 59.1100 29.5877 178.2277 28 E 3.8991 8.2371 119.3655 59.2217 29.6980 178.4705 29 L 3.9610 8.2565 120.4174 58.0927 42.0811 178.5716 30 A 4.0296 8.3530 121.0630 55.3281 18.2139 179.1193 31 D 4.2558 8.3082 116.3785 57.6542 41.1611 178.4666 32 L 4.0176 8.1364 118.1954 57.2954 41.7211 178.5326 33 A 4.4503 8.1865 118.1919 51.1487 19.3548 177.0179 34 G 3.7947 7.8231 104.8642 46.7969 0.0000 173.5410 35 L 4.7636 8.0284 117.7953 52.0203 45.5839 176.9077 36 H 4.6521 8.2999 116.8895 55.4751 30.5637 176.7642 37 R 3.9821 8.7069 124.7429 59.8412 29.9228 178.8665 38 T 3.8668 8.0492 109.1334 65.0490 68.5035 175.6402 39 Y 4.3154 7.8354 122.9791 59.9657 38.9339 177.2852 40 I 3.6023 7.9356 120.8204 64.5936 37.1409 178.2274 41 S 4.0470 8.2721 113.7613 61.4435 62.0538 175.9147 42 E 3.9009 8.3007 121.4178 59.4869 29.1290 179.5481 43 V 3.4583 7.8096 118.4798 66.0844 31.2830 177.9417 44 E 4.1430 8.4813 118.2473 58.8073 29.0257 178.4676 45 R 4.4997 7.5124 115.6538 55.2869 30.4843 176.9625 46 G 3.9467 8.0063 107.0405 46.3561 0.0000 174.8476 47 D 4.4854 8.3325 120.7985 55.5142 41.1627 176.8251 48 R 4.6334 7.5032 116.9061 54.3223 33.0052 175.8104 49 N 4.6223 8.3605 119.4899 52.3451 37.8165 175.2765 50 I 3.7639 7.2612 119.1696 61.5400 39.1983 174.9552 51 S 4.7657 8.1443 121.2531 55.4071 68.0103 174.7490 52 L 3.9650 8.4519 123.0367 58.8758 41.4369 178.9535 53 I 3.7057 7.6688 118.6300 64.6901 37.1247 178.1739 54 N 4.4467 8.1221 116.7002 56.0475 38.3632 177.2787 55 I 3.7085 8.0445 121.7461 65.0178 37.1940 178.1835 56 H 4.1576 8.4778 116.7787 58.6416 28.5088 178.0395 57 K 3.9851 8.5394 120.8726 59.4972 31.8585 179.5051 58 I 3.7723 8.0650 120.1833 64.6400 37.0716 178.3136 59 C 4.1633 8.2511 117.4272 62.7089 27.9104 176.0148 60 A 4.0059 8.3811 122.4424 55.1949 17.7533 179.5840 61 A 4.0376 7.9797 118.2337 54.7193 18.4958 178.8328 62 L 4.3434 7.7333 114.8904 53.5248 42.4227 176.0238 63 D 4.3959 7.9687 117.4755 55.3704 40.1421 173.2374 64 I 4.6568 7.7996 115.9265 57.6052 41.3824 173.4684 65 P 4.4772 0.0000 0.0000 62.2177 33.1416 177.4371 66 A 4.1902 8.7661 123.3943 55.5282 18.2420 180.2265 67 S 4.2236 8.2590 112.1717 62.2589 62.9043 176.9182 68 T 3.9332 7.8792 118.7812 65.9701 68.2831 176.2935 69 F 3.8236 8.3256 122.7153 61.5650 39.3476 177.3749 70 F 4.1173 8.9513 117.5322 60.1885 38.7467 177.7888 71 R 4.0979 8.4316 118.8586 59.4431 29.6722 178.7398 72 K 3.8818 7.8619 117.1861 59.4880 32.1355 178.5929 73 M 4.0630 7.7715 119.7972 58.1903 31.9193 178.2448 74 E 4.0300 8.3049 117.5970 59.0228 29.7135 178.3945 75 E 4.2404 7.7421 116.3487 56.0943 30.1544 176.5808 76 E 3.9329 7.7622 123.7838 56.9906 30.3028 176.8876 77 N 4.3727 8.2907 121.7223 52.0038 37.5433 171.7964 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 4.42 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 2 I 8.39 3.61 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 1.31 0.78 0.93 0.00 0.00 3 N 9.24 4.79 0.00 2.73 2.70 0.00 0.00 7.21 7.65 0.00 0.00 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 E 8.49 4.00 0.00 2.06 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 2.41 2.42 0.00 5 I 7.74 3.70 2.03 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 1.53 0.72 0.92 0.00 0.00 6 E 8.55 3.95 0.00 2.11 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 0.00 2.32 2.42 0.00 7 I 7.85 3.75 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.56 0.99 0.00 0.00 8 K 8.20 4.03 0.00 1.95 1.87 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.64 7.81 9 R 8.44 4.01 0.00 1.91 1.99 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 10 K 8.60 3.94 0.00 2.08 2.01 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.63 7.81 11 F 8.43 4.18 0.00 3.28 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 12 G 8.33 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.42 3.89 0.00 1.92 1.94 0.00 3.11 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 14 T 7.84 3.62 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 15 L 7.85 4.05 0.00 1.68 1.81 1.00 0.56 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 16 K 8.14 3.99 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 K 7.99 3.84 0.00 1.85 1.80 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 18 I 7.74 3.76 1.78 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.23 0.89 0.00 0.00 19 R 8.43 3.89 0.00 1.87 1.99 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 20 T 8.07 3.89 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 1.27 0.00 0.00 21 Q 8.02 4.00 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 22 K 7.86 4.31 0.00 1.95 1.85 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 23 G 7.83 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.83 4.58 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 1.00 0.00 0.00 0.99 0.00 0.00 25 S 8.51 4.48 0.00 4.09 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 26 Q 8.56 3.99 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 27 E 8.10 3.94 0.00 2.09 1.95 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 2.39 2.44 0.00 28 E 8.24 3.90 0.00 2.10 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 2.32 2.33 0.00 29 L 8.26 3.96 0.00 1.80 1.83 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.35 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.31 4.26 0.00 2.88 2.85 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 32 L 8.14 4.02 0.00 1.79 1.74 0.94 0.74 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 33 A 8.19 4.45 1.44 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 0.00 0.00 34 G 7.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.76 0.00 1.66 1.65 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.30 4.65 0.00 3.27 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.71 3.98 0.00 2.13 1.96 0.00 3.21 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 38 T 8.05 3.87 4.29 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 1.23 0.00 0.00 39 Y 7.84 4.32 0.00 3.14 3.24 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 40 I 7.94 3.60 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.80 0.93 0.00 0.00 41 S 8.27 4.05 0.00 3.88 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 42 E 8.30 3.90 0.00 2.06 1.91 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 2.33 2.44 0.00 43 V 7.81 3.46 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 1.22 0.00 0.00 0.17 0.00 0.00 44 E 8.48 4.14 0.00 2.18 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 2.33 2.51 0.00 45 R 7.51 4.50 0.00 1.72 1.95 0.00 3.23 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 46 G 8.01 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 0.00 0.00 0.00 47 D 8.33 4.49 0.00 2.75 2.73 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 48 R 7.50 4.63 0.00 1.59 1.90 0.00 3.70 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 0.00 49 N 8.36 4.62 0.00 2.67 2.77 0.00 0.00 6.96 7.94 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 50 I 7.26 3.76 1.67 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 1.30 1.00 0.15 0.00 0.00 51 S 8.14 4.77 0.00 3.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 3.96 0.00 1.74 1.68 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.67 3.71 1.86 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 1.62 0.75 0.90 0.00 0.00 54 N 8.12 4.45 0.00 2.80 3.01 0.00 0.00 7.04 7.27 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 55 I 8.04 3.71 2.09 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 0.59 1.00 0.00 0.00 56 H 8.48 4.16 0.00 3.38 3.40 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.54 3.99 0.00 1.93 1.88 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.63 7.81 58 I 8.07 3.77 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.74 0.92 0.00 0.00 59 C 8.25 4.16 0.00 2.94 3.25 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 60 A 8.38 4.01 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 61 A 7.98 4.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.73 4.34 0.00 1.69 1.73 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.97 4.40 0.00 2.78 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 4.66 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 1.08 0.00 0.00 65 P 0.00 4.48 0.00 2.26 2.00 0.00 3.71 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 2.15 2.18 0.00 66 A 8.77 4.19 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 67 S 8.26 4.22 0.00 4.13 4.21 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 0.00 0.00 0.00 0.00 68 T 7.88 3.93 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 69 F 8.33 3.82 0.00 3.14 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 70 F 8.95 4.12 0.00 3.22 3.22 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 71 R 8.43 4.10 0.00 2.04 2.09 0.00 3.13 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 72 K 7.86 3.88 0.00 1.60 1.61 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.48 7.81 73 M 7.77 4.06 0.00 2.18 1.78 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 74 E 8.30 4.03 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 75 E 7.74 4.24 0.00 2.06 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 2.31 2.44 0.00 76 E 7.76 3.93 0.00 1.87 1.82 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 0.00 2.28 2.19 0.00 77 N 8.29 4.37 0.00 2.80 2.55 0.00 0.00 6.67 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