NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2119 8.2544 120.8617 56.1525 30.9068 174.2285 6 Q 4.1978 8.6529 127.1361 54.1424 30.0297 172.7568 7 T 4.2790 9.1363 121.4197 60.6420 69.4103 173.3335 8 Y 4.6448 8.1192 126.8108 57.8492 38.8928 176.1412 9 T 4.2984 8.3288 113.4990 61.2258 71.2853 175.5510 10 R 3.9139 8.5986 121.2399 59.8260 29.9140 177.9868 11 Y 4.0170 7.9771 118.5774 60.8760 39.0565 177.4748 12 Q 3.7039 8.1889 118.9142 59.4912 28.8946 179.4235 13 T 3.8425 8.2482 116.8059 66.2741 68.4283 176.6503 14 L 3.9686 7.6657 122.4714 58.0055 42.1248 178.7978 15 E 3.8095 7.9409 118.7099 59.2113 29.2965 179.3362 16 L 3.5882 7.3671 118.8933 57.6544 41.4809 179.4705 17 E 4.1875 7.8386 118.0729 59.1384 27.8900 179.2425 18 K 4.0322 8.1463 119.8177 59.5568 32.2979 178.5331 19 E 4.3433 8.3562 119.6171 59.3940 29.4314 178.4455 20 F 5.0505 8.3804 120.9515 61.0828 39.4040 176.2263 21 H 4.1093 8.2289 116.8542 58.5687 29.6187 176.3680 22 F 4.6837 7.5393 117.7566 57.2808 40.0510 176.0625 23 N 4.9481 8.5554 116.2069 51.6488 41.4364 175.2495 24 R 3.8378 8.4863 121.7852 56.9100 30.8752 176.1341 25 Y 4.7313 7.6796 114.4985 55.9271 41.2104 174.6536 26 L 4.6636 8.2694 122.8506 53.2022 44.5904 176.5335 27 T 4.4979 7.8090 110.8064 60.4415 72.0527 175.8424 28 R 3.8077 8.4219 121.9401 59.5394 30.1786 178.9236 29 R 3.8294 7.8423 118.2952 59.3775 30.2169 178.2960 30 R 3.9983 8.2771 118.7547 59.0326 29.9675 178.3445 31 R 3.8195 8.1261 119.0127 59.3333 29.9381 178.6073 32 I 3.6083 7.6765 119.5929 64.1422 36.9605 178.2169 33 E 3.8980 7.6825 118.2115 59.4995 29.2968 179.4841 34 I 3.6256 7.7346 119.4579 64.2568 37.2438 178.3107 35 A 4.0024 8.1175 121.6716 55.7021 18.0190 179.4957 36 H 4.2177 8.2708 113.3430 58.8804 28.7915 177.6561 37 A 4.1814 8.1628 122.2875 54.2717 18.3830 178.6844 38 L 4.3943 7.9340 114.7221 53.6521 42.9540 176.3500 39 S 3.7932 8.0590 113.6370 59.9498 60.3037 170.7414 40 L 4.8277 7.5353 117.4658 52.4110 45.6153 177.5265 41 T 4.3270 8.4930 111.4141 61.2348 71.0625 175.7405 42 E 3.9840 8.6694 121.2327 59.5428 29.3574 179.7056 43 R 3.9254 7.9487 118.2933 59.6480 30.3190 178.4666 44 Q 4.1485 8.2792 117.8073 58.9304 28.6474 179.0344 45 I 3.9115 7.7974 120.9996 64.3124 37.0423 178.2209 46 K 4.0391 8.4599 120.8433 59.7773 31.9314 178.8918 47 I 3.8549 8.2705 120.2752 63.9620 37.0478 178.0980 48 W 4.0494 8.5548 129.3194 60.7217 30.5856 178.1316 49 F 4.1889 8.8495 117.4625 60.0535 38.1625 177.6433 50 Q 4.0013 7.8908 119.6119 59.2537 28.9678 177.7922 51 N 4.2415 8.3875 117.9777 56.1759 38.4003 177.4721 52 R 3.1977 7.7649 120.4983 59.1384 29.6651 178.8461 53 R 4.1132 7.7356 117.0832 59.3142 30.1503 178.6877 54 M 4.2540 7.7101 118.7514 58.2260 31.5000 178.6544 55 K 3.8674 8.0757 119.6554 59.0021 32.0046 178.5456 56 W 4.2407 7.7568 128.4850 59.8126 30.8490 177.7805 57 K 3.9462 8.1194 118.7778 59.2005 32.0568 179.2708 58 K 4.0344 7.9667 118.6951 58.3995 32.1382 177.8009 59 E 4.2514 7.2428 115.6022 55.0566 29.7027 175.8243 60 N 4.0128 7.2449 122.6978 53.6212 39.3957 173.9151 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 5 R 8.25 4.21 0.00 1.77 1.91 0.00 3.15 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 6 Q 8.65 4.20 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 7 T 9.14 4.28 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 1.23 0.00 0.00 8 Y 8.12 4.64 0.00 3.01 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 9 T 8.33 4.30 4.32 0.00 0.00 0.00 0.00 0.00 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 10 R 8.60 3.91 0.00 1.95 2.05 0.00 3.22 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 11 Y 7.98 4.02 0.00 3.09 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 12 Q 8.19 3.70 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 13 T 8.25 3.84 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 14 L 7.67 3.97 0.00 1.94 1.67 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.94 3.81 0.00 1.73 1.71 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 1.50 1.71 0.00 16 L 7.37 3.59 0.00 0.79 0.13 -0.22 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.84 4.19 0.00 2.17 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 0.00 2.65 2.56 0.00 18 K 8.15 4.03 0.00 1.97 2.04 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.61 7.81 19 E 8.36 4.34 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.66 0.00 20 F 8.38 5.05 0.00 3.18 3.34 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 21 H 8.23 4.11 0.00 3.28 3.26 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 7.54 4.68 0.00 3.16 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 23 N 8.56 4.95 0.00 2.72 2.89 0.00 0.00 6.97 7.70 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 24 R 8.49 3.84 0.00 1.37 1.24 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.07 0.00 25 Y 7.68 4.73 0.00 2.88 2.78 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 0.00 26 L 8.27 4.66 0.00 1.35 1.35 0.21 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.81 4.50 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 1.19 0.00 0.00 28 R 8.42 3.81 0.00 1.88 1.95 0.00 3.17 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 29 R 7.84 3.83 0.00 1.89 1.87 0.00 3.20 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 1.66 1.65 0.00 30 R 8.28 4.00 0.00 1.90 1.82 0.00 3.16 0.00 0.00 3.05 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 31 R 8.13 3.82 0.00 1.91 1.99 0.00 3.28 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 32 I 7.68 3.61 1.91 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 1.58 0.60 0.67 0.00 0.00 33 E 7.68 3.90 0.00 2.23 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 2.30 2.48 0.00 34 I 7.73 3.63 1.96 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 1.42 0.71 0.86 0.00 0.00 35 A 8.12 4.00 1.43 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 0.00 0.00 0.00 36 H 8.27 4.22 0.00 3.27 3.36 0.00 5.85 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.16 4.18 1.37 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 0.00 0.00 0.00 38 L 7.93 4.39 0.00 1.50 1.59 0.66 0.60 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 39 S 8.06 3.79 0.00 4.06 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 40 L 7.54 4.83 0.00 1.46 1.40 0.28 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.49 4.33 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 1.24 0.00 0.00 42 E 8.67 3.98 0.00 2.04 2.06 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 2.38 2.37 0.00 43 R 7.95 3.93 0.00 1.91 1.97 0.00 3.22 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 44 Q 8.28 4.15 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 45 I 7.80 3.91 2.06 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 1.71 1.03 1.01 0.00 0.00 46 K 8.46 4.04 0.00 1.86 2.12 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.58 7.81 47 I 8.27 3.85 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.98 0.00 0.00 48 W 8.55 4.05 0.00 3.74 3.49 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 49 F 8.85 4.19 0.00 3.41 3.26 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 50 Q 7.89 4.00 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 51 N 8.39 4.24 0.00 2.69 2.57 0.00 0.00 6.71 7.20 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 52 R 7.76 3.20 0.00 0.67 1.06 0.00 2.34 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.74 4.11 0.00 2.08 2.02 0.00 3.11 0.00 0.00 2.56 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 54 M 7.71 4.25 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 55 K 8.08 3.87 0.00 1.66 1.78 0.00 1.46 0.00 0.00 1.33 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.36 7.81 56 W 7.76 4.24 0.00 3.44 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.95 0.00 2.04 2.25 0.00 1.41 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.48 7.81 58 K 7.97 4.03 0.00 1.87 1.85 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.62 7.81 59 E 7.24 4.25 0.00 1.80 1.84 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 2.21 2.39 0.00 60 N 7.24 4.01 0.00 2.54 2.53 0.00 0.00 6.74 8.45 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