NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4549 8.1633 120.6053 55.5446 33.9165 173.9485 2 Q 5.0456 8.4567 124.5636 52.2281 32.7441 173.0012 3 I 4.6090 9.1485 115.9862 59.1679 42.1194 173.6056 4 F 5.4888 8.8060 121.2665 55.8955 41.9211 175.1482 5 V 4.7592 9.0458 122.0571 61.1313 34.2341 174.0810 6 K 4.9325 9.1843 130.5464 55.4953 34.1508 175.8275 7 T 4.9189 8.3993 116.9920 59.7409 71.2949 175.4702 8 L 4.0333 8.6502 121.3845 57.9105 41.5965 178.6122 9 T 4.1292 7.6025 106.4872 61.8489 69.0143 175.6829 10 G 3.9379 8.1677 111.5245 44.9858 0.0000 173.9120 11 K 4.2327 7.5845 121.2851 56.6186 33.4769 175.6570 12 T 5.2989 8.4669 122.5518 61.6888 71.4295 173.2670 13 I 4.7236 8.8076 118.9192 59.4257 41.1577 174.2582 14 T 5.1739 8.5057 119.2872 61.9206 70.9047 173.7264 15 L 4.8480 8.6275 124.6986 52.9431 45.8364 175.1945 16 E 4.8768 8.6866 121.7282 55.3818 30.7375 175.7145 17 V 4.7059 8.9716 117.2266 59.9335 36.5517 174.1418 18 E 4.7270 9.2849 119.6557 54.0205 33.3340 175.8294 19 P 4.1752 0.0000 0.0000 65.7378 31.5354 178.1874 20 S 4.6826 7.8223 110.9614 58.1565 63.2650 173.7960 21 D 4.4200 7.9938 123.0566 54.4478 41.2038 176.5527 22 T 4.6485 8.4443 114.4335 61.3672 71.0878 175.6086 23 I 3.7027 8.5244 123.4344 64.4158 37.0665 178.1237 24 E 3.9130 8.4254 120.6115 59.6782 29.3465 178.7656 25 N 4.2997 8.0290 116.0710 56.3957 38.5616 177.5589 26 V 3.5692 7.7296 119.3588 65.9524 31.5702 178.1367 27 K 4.3297 8.5571 119.4681 58.9389 31.8284 179.1492 28 A 4.0282 8.0460 121.0127 55.1315 18.2752 179.8885 29 K 3.9492 8.2145 117.0936 59.5406 32.0802 179.7443 30 I 3.7569 7.9549 120.4646 64.2148 36.9201 178.1024 31 Q 4.2774 8.3957 122.2549 58.7437 28.6260 178.1847 32 D 4.3406 8.0530 118.8959 57.2986 40.9395 178.7184 33 K 4.1550 7.9134 117.7194 58.8507 32.3679 177.9319 34 E 4.4184 8.5889 115.4483 55.3874 30.8953 176.9947 35 G 3.8560 8.3269 106.9200 45.9344 0.0000 173.1175 36 I 4.2431 7.3997 120.8558 58.7237 38.3390 173.7919 37 P 4.4120 0.0000 0.0000 61.8631 32.0649 175.6443 38 P 4.2954 0.0000 0.0000 65.7138 31.4004 178.2088 39 D 4.4765 7.9681 115.7253 55.3623 39.7683 177.0447 40 Q 4.1822 8.1830 118.9776 57.3340 29.3130 175.0779 41 Q 4.8684 8.0241 118.2947 54.4088 31.0324 174.8580 42 R 4.7997 9.2478 122.4547 54.3284 33.4899 174.5235 43 L 5.2469 8.5201 122.9536 53.0008 44.8424 175.3066 44 I 5.0385 8.6900 123.4080 59.4723 40.9305 174.3001 45 F 5.0274 9.0140 128.4347 56.6747 42.6984 174.5129 46 A 3.4532 8.9604 128.6353 53.2700 15.6522 178.1743 47 G 3.8576 8.3158 106.5602 46.7044 0.0000 173.9503 48 K 4.4813 7.7068 121.5367 54.1519 34.0974 174.5207 49 Q 4.6467 8.5298 127.5825 55.8485 29.6045 175.1156 50 L 4.2065 8.6980 127.3284 54.2436 43.0393 175.9743 51 E 4.7058 9.1498 122.0288 54.5762 31.5647 176.9554 52 D 4.3894 9.1232 123.6437 57.3402 41.0514 178.4653 53 G 3.8603 7.9936 104.6217 45.7502 0.0000 173.5725 54 R 4.4691 7.9078 120.0499 55.1020 31.7946 175.5348 55 T 5.0456 8.3643 109.8141 59.7437 71.2529 175.9238 56 L 4.0738 8.5499 122.1994 57.9628 41.9417 180.3651 57 S 4.1785 8.3321 113.3271 61.0837 63.3030 176.0344 58 D 4.2253 8.0433 120.6195 57.2978 40.4972 176.8688 59 Y 4.6016 7.5313 113.7415 57.1605 37.9815 174.7387 60 N 4.1959 7.8212 117.1920 54.5188 37.9640 173.8945 61 I 3.7179 7.7568 117.3486 60.0273 38.0256 175.7487 62 Q 4.6203 8.5073 123.9205 52.9115 31.7274 174.7408 63 K 3.9160 8.4077 119.2268 58.6704 32.1648 176.0470 64 E 3.5743 9.0986 123.9280 56.9156 27.7649 174.8038 65 S 4.5941 7.9578 115.6368 58.9800 64.2999 173.1833 66 T 5.1903 8.7238 118.4327 62.0609 70.6766 173.7262 67 L 5.0175 9.0038 126.5537 53.6761 44.7466 175.0028 68 H 5.2323 9.0524 118.8802 54.0689 31.3022 173.2389 69 L 4.9528 8.9187 126.2526 53.6035 43.3200 175.5196 70 V 4.4465 8.9520 127.0297 61.0885 34.0500 174.0501 71 L 5.1225 8.4596 127.8346 53.2301 43.1411 176.3695 72 R 4.1317 8.9224 121.6338 55.4771 30.6442 175.7807 73 L 3.7373 8.7205 122.8760 54.4877 41.5422 176.6579 74 R 4.0245 8.6484 124.4723 57.8020 30.1019 176.1362 75 G 3.7573 9.3047 113.7661 46.4928 0.0000 173.4235 76 G 4.1324 8.2025 114.2849 45.6157 0.0000 174.3700 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 4.45 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 2 Q 8.46 5.05 0.00 1.84 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 3 I 9.15 4.61 1.86 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 1.12 0.87 0.82 0.00 0.00 4 F 8.81 5.49 0.00 3.07 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 5 V 9.05 4.76 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 1.02 0.00 0.00 0.94 0.00 0.00 6 K 9.18 4.93 0.00 1.74 1.54 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.35 7.81 7 T 8.40 4.92 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 1.22 0.00 0.00 8 L 8.65 4.03 0.00 1.66 1.79 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.60 4.13 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 8.17 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 0.00 0.00 0.00 11 K 7.58 4.23 0.00 1.84 1.68 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.57 7.81 12 T 8.47 5.30 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 1.20 0.00 0.00 13 I 8.81 4.72 1.90 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 1.25 1.19 0.96 0.00 0.00 14 T 8.51 5.17 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 1.20 0.00 0.00 15 L 8.63 4.85 0.00 1.50 1.47 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.69 4.88 0.00 1.81 1.85 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 2.21 2.24 0.00 17 V 8.97 4.71 2.13 0.00 0.00 0.00 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 0.91 0.00 0.00 18 E 9.28 4.73 0.00 1.83 1.76 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 2.19 2.23 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 20 S 7.82 4.68 0.00 3.84 3.86 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 21 D 7.99 4.42 0.00 2.87 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.65 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 1.21 0.00 0.00 23 I 8.52 3.70 2.03 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 1.82 1.02 0.92 0.00 0.00 24 E 8.43 3.91 0.00 2.23 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 2.39 0.00 25 N 8.03 4.30 0.00 3.02 2.85 0.00 0.00 6.73 7.81 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 26 V 7.73 3.57 2.20 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 1.08 0.00 0.00 0.96 0.00 0.00 27 K 8.56 4.33 0.00 2.00 1.85 0.00 1.86 0.00 0.00 1.89 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.47 7.81 28 A 8.05 4.03 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 8.21 3.95 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.68 7.81 30 I 7.95 3.76 2.13 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 1.41 0.65 0.95 0.00 0.00 31 Q 8.40 4.28 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 32 D 8.05 4.34 0.00 2.90 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 33 K 7.91 4.15 0.00 1.75 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.59 7.81 34 E 8.59 4.42 0.00 1.88 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 2.25 2.37 0.00 35 G 8.33 3.86 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 0.00 0.00 0.00 36 I 7.40 4.24 1.87 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 0.91 0.00 0.00 37 P 0.00 4.41 0.00 2.33 1.97 0.00 3.61 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 2.11 2.11 0.00 38 P 0.00 4.30 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.82 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 39 D 7.97 4.48 0.00 2.79 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 8.18 4.18 0.00 2.41 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 41 Q 8.02 4.87 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 42 R 9.25 4.80 0.00 1.75 1.79 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 43 L 8.52 5.25 0.00 1.54 1.52 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.69 5.04 1.92 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 1.13 1.06 0.90 0.00 0.00 45 F 9.01 5.03 0.00 2.91 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 46 A 8.96 3.45 0.79 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 47 G 8.32 3.86 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 0.00 0.00 0.00 48 K 7.71 4.48 0.00 1.78 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.39 7.81 49 Q 8.53 4.65 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 50 L 8.70 4.21 0.00 1.42 1.28 0.72 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.15 4.71 0.00 2.05 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 2.29 2.36 0.00 52 D 9.12 4.39 0.00 2.76 2.76 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 53 G 7.99 3.86 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 0.00 0.00 0.00 54 R 7.91 4.47 0.00 2.10 1.67 0.00 3.04 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 55 T 8.36 5.05 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 1.26 0.00 0.00 56 L 8.55 4.07 0.00 1.89 1.70 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.33 4.18 0.00 3.99 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 0.00 58 D 8.04 4.23 0.00 2.56 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 7.53 4.60 0.00 3.03 2.95 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 60 N 7.82 4.20 0.00 2.94 3.05 0.00 0.00 7.10 7.97 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 61 I 7.76 3.72 1.80 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.58 0.00 0.00 62 Q 8.51 4.62 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 63 K 8.41 3.92 0.00 1.66 1.73 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.44 7.81 64 E 9.10 3.57 0.00 2.16 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 0.00 2.20 2.16 0.00 65 S 7.96 4.59 0.00 3.75 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 66 T 8.72 5.19 4.37 0.00 0.00 0.00 0.00 0.00 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 67 L 9.00 5.02 0.00 1.59 1.59 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.23 0.00 3.09 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.92 4.95 0.00 1.59 1.69 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.95 4.45 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 0.76 0.00 0.00 0.94 0.00 0.00 71 L 8.46 5.12 0.00 1.55 1.58 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.92 4.13 0.00 1.79 1.94 0.00 3.11 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 73 L 8.72 3.74 0.00 1.77 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.65 4.02 0.00 1.77 1.87 0.00 3.34 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 75 G 9.30 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 76 G 8.20 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00