NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2943 8.2649 123.5816 51.8861 19.9361 175.8446 4 L 4.3804 8.2369 121.5847 52.4033 43.2782 174.9170 5 A 4.2283 8.5158 126.6328 50.9262 20.3104 176.6319 6 K 3.8281 8.5917 122.5440 56.3137 32.4292 175.0094 7 P 4.6754 0.0000 0.0000 60.9835 33.0090 175.2042 8 Q 4.0827 8.4146 120.2237 56.7342 29.2500 175.6785 9 M 4.7217 8.5641 122.0727 54.6299 34.4374 175.5839 10 R 4.5599 7.9110 116.9885 55.1992 32.6123 175.5439 11 G 4.0095 8.5316 106.8465 46.8871 0.0000 176.2136 12 L 4.0225 7.9318 121.2749 57.1073 41.8180 178.4525 13 L 3.9476 7.8954 119.7679 58.1333 42.0401 178.8189 14 A 4.0166 7.9078 120.2513 55.0972 18.4689 179.3615 15 R 3.8355 8.1250 117.3126 59.5071 30.1159 178.7545 16 R 3.9544 7.9428 118.1453 59.2067 30.0929 178.1158 17 L 3.9612 8.0254 120.0874 58.3551 42.1344 178.7514 18 R 3.9016 8.1690 118.0700 59.5326 30.1067 178.4505 19 F 4.0899 8.2026 119.7688 62.0347 39.3593 176.9461 20 H 4.3054 8.4807 115.2216 58.2217 28.5111 178.0061 21 I 3.6989 8.2448 122.4746 64.2589 36.8945 178.2353 22 V 3.6326 7.8206 119.2106 66.0795 31.2032 178.0489 23 G 3.5219 7.8175 104.9082 47.9223 0.0000 175.3563 24 A 3.9840 8.1621 123.5870 54.6072 18.3407 179.1235 25 F 4.0076 8.4239 119.2044 61.8929 39.4287 176.9205 26 M 3.9153 8.4736 118.1991 58.7508 31.8168 178.9190 27 V 3.5863 8.0337 118.1967 66.1782 31.5611 178.1033 28 S 4.1031 7.9659 114.6623 61.5761 62.6963 176.3513 29 L 3.9176 7.5315 121.6701 58.1295 41.4917 180.1164 30 G 3.6677 8.1103 105.1401 47.5468 0.0000 175.5771 31 F 4.1784 8.5552 123.0034 61.1406 39.4262 176.6898 32 A 3.9669 8.4949 120.8365 55.7840 17.9025 179.3414 33 T 3.8322 7.6865 112.5498 66.9313 68.9175 176.0896 34 F 4.3576 8.1261 121.8354 61.4632 39.3694 176.2825 35 Y 3.6452 8.1499 119.3675 60.4784 38.3756 179.7726 36 K 4.5494 8.0175 117.4001 55.8866 32.7907 177.3498 37 F 4.8019 8.2851 120.7128 59.7507 45.1920 175.9853 38 A 3.6178 8.1057 121.4843 53.3464 18.5738 177.0271 39 V 3.7945 6.7697 112.3933 63.9267 33.8137 177.2315 40 A 3.8766 7.4641 120.4708 55.2113 18.4029 179.1691 41 E 3.8313 7.9414 116.2034 59.3648 29.6133 179.1323 42 K 3.6411 7.2259 118.5199 59.7945 32.1522 178.6632 43 R 3.9946 7.9496 118.5680 59.3236 29.9082 178.6390 44 K 4.0468 8.1180 118.4760 59.1034 32.0255 179.3757 45 K 3.9103 8.2510 119.7300 59.5306 32.2115 178.5270 46 A 3.9879 8.3740 121.4995 55.6252 18.2070 179.3369 47 Y 3.7940 8.1077 114.2176 61.1363 37.7454 178.1881 48 A 4.1899 8.4334 121.9211 55.3884 18.2407 179.4772 49 D 4.3452 8.6528 116.9715 57.1716 40.6192 178.5413 50 F 3.9921 8.2010 121.2570 61.4340 39.3219 176.3418 51 Y 4.4530 7.9091 112.7568 58.7643 37.9300 177.3645 52 R 4.1903 7.6644 120.2296 58.9915 30.3334 177.1482 53 N 4.9841 7.6267 112.4271 52.7859 39.4532 173.8574 54 Y 3.9382 7.3351 116.8544 57.7275 39.3831 175.6362 55 D 4.5183 7.7893 125.6033 52.0083 43.2495 176.5131 56 S 3.7407 7.9844 123.6394 61.5307 63.1093 176.1846 57 M 4.1045 7.9375 121.8213 57.9505 31.7990 178.3893 58 K 3.8830 7.7250 118.5872 59.4368 32.4081 178.0286 59 D 4.3589 7.9956 118.2476 57.5330 41.0671 177.8556 60 F 4.3633 8.6223 121.2935 61.6424 39.2576 176.8054 61 E 3.5977 8.3684 118.7025 59.1799 29.3203 178.3239 62 E 3.8886 8.2527 118.6728 59.9451 29.3784 179.4557 63 M 3.9123 7.7320 118.0339 57.9866 31.9714 178.7520 64 R 3.8256 7.8588 119.1507 59.5312 30.1056 178.8242 65 K 3.9949 7.9877 116.6240 59.1770 32.1289 177.8558 66 A 4.1034 7.5127 119.6133 51.9722 18.6387 177.5734 67 G 3.8990 8.2514 104.3534 46.2547 0.0000 175.5709 68 I 3.7128 7.1369 115.8038 62.8537 37.9059 176.7303 69 F 4.8052 7.3767 118.6019 57.2291 39.6020 174.8958 70 Q 4.3321 8.9430 124.3700 57.3992 29.5491 176.4307 71 S 4.5786 8.1518 109.1578 58.0757 63.8000 174.2966 72 A 4.5356 7.6030 123.8017 51.1597 19.5932 176.1665 73 K 4.2417 8.4997 119.3936 57.2433 32.2856 177.4322 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 3 A 8.26 4.29 1.26 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 0.00 0.00 0.00 4 L 8.24 4.38 0.00 1.71 1.60 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.52 4.23 1.23 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 0.00 0.00 6 K 8.59 3.83 0.00 1.72 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 P 0.00 4.68 0.00 2.20 2.02 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 8 Q 8.41 4.08 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.56 4.72 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 10 R 7.91 4.56 0.00 1.78 1.83 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 11 G 8.53 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.93 4.02 0.00 1.70 1.72 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.90 3.95 0.00 1.75 1.66 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.91 4.02 1.33 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 0.00 0.00 0.00 15 R 8.13 3.84 0.00 2.03 2.12 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 16 R 7.94 3.95 0.00 2.09 2.12 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 17 L 8.03 3.96 0.00 1.93 1.87 0.94 0.79 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 18 R 8.17 3.90 0.00 2.12 2.04 0.00 3.20 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 19 F 8.20 4.09 0.00 3.06 3.21 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 20 H 8.48 4.31 0.00 3.37 3.37 0.00 5.87 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 21 I 8.24 3.70 1.99 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 1.60 0.86 0.90 0.00 0.00 22 V 7.82 3.63 2.14 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 0.98 0.00 0.00 0.83 0.00 0.00 23 G 7.82 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.98 1.39 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 0.00 0.00 0.00 25 F 8.42 4.01 0.00 3.10 3.28 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 26 M 8.47 3.92 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 3.00 0.00 27 V 8.03 3.59 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 1.08 0.00 0.00 0.94 0.00 0.00 28 S 7.97 4.10 0.00 3.92 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 29 L 7.53 3.92 0.00 1.60 1.62 0.48 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.11 3.67 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 0.00 0.00 0.00 31 F 8.56 4.18 0.00 3.16 3.30 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 0.00 32 A 8.49 3.97 1.39 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 0.00 0.00 0.00 33 T 7.69 3.83 4.40 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 1.19 0.00 0.00 34 F 8.13 4.36 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.15 3.65 0.00 2.67 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 36 K 8.02 4.55 0.00 1.93 1.85 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 37 F 8.29 4.80 0.00 2.87 3.06 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 0.00 0.00 0.00 0.00 38 A 8.11 3.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.77 3.79 0.76 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 0.65 0.00 0.00 0.27 0.00 0.00 40 A 7.46 3.88 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 41 E 7.94 3.83 0.00 2.04 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 2.65 2.36 0.00 42 K 7.23 3.64 0.00 1.60 1.75 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.24 7.81 43 R 7.95 3.99 0.00 2.00 2.04 0.00 3.18 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 44 K 8.12 4.05 0.00 1.98 1.85 0.00 1.88 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.41 7.81 45 K 8.25 3.91 0.00 1.90 1.90 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 46 A 8.37 3.99 1.26 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 0.00 0.00 0.00 47 Y 8.11 3.79 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.43 4.19 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 49 D 8.65 4.35 0.00 2.67 2.75 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 0.00 0.00 0.00 50 F 8.20 3.99 0.00 3.04 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 51 Y 7.91 4.45 0.00 3.13 3.05 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 0.00 0.00 0.00 0.00 52 R 7.66 4.19 0.00 2.05 1.98 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 53 N 7.63 4.98 0.00 2.68 2.73 0.00 0.00 6.83 7.46 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 54 Y 7.34 3.94 0.00 2.87 2.92 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 55 D 7.79 4.52 0.00 2.63 2.30 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 0.00 56 S 7.98 3.74 0.00 4.15 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 0.00 57 M 7.94 4.10 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 7.73 3.88 0.00 2.05 1.86 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 59 D 8.00 4.36 0.00 2.91 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 60 F 8.62 4.36 0.00 3.14 3.39 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 0.00 61 E 8.37 3.60 0.00 2.37 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 2.32 2.36 0.00 62 E 8.25 3.89 0.00 2.23 1.97 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 2.31 2.53 0.00 63 M 7.73 3.91 0.00 1.62 2.33 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.48 0.00 64 R 7.86 3.83 0.00 1.21 1.78 0.00 3.38 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.99 0.00 65 K 7.99 3.99 0.00 1.70 1.82 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.34 7.81 66 A 7.51 4.10 1.23 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 0.00 0.00 67 G 8.25 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 68 I 7.14 3.71 1.54 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.72 0.00 0.00 69 F 7.38 4.81 0.00 3.38 3.07 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 70 Q 8.94 4.33 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 71 S 8.15 4.58 0.00 4.01 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 72 A 7.60 4.54 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 73 K 8.50 4.24 0.00 1.80 1.76 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.40 7.81