NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3726 8.4449 121.4660 55.7388 31.0473 175.4973 4 S 4.2511 9.4545 122.8388 57.7543 63.5546 174.0018 5 L 4.0447 9.4860 125.2636 57.9320 42.6277 177.8729 6 L 4.5264 7.9602 116.1990 54.9949 42.0769 177.4651 7 Y 4.2755 8.4023 122.3928 61.0971 38.5564 178.7797 8 G 3.5649 8.2664 105.9262 47.6941 0.0000 174.7193 9 Y 3.9619 7.9791 121.3440 60.7813 38.8174 178.3014 10 F 4.2508 8.2243 119.8200 59.4064 38.9090 177.6523 11 L 3.6589 7.9088 120.5820 58.0242 41.7309 178.4891 12 D 4.2529 8.2698 118.6283 57.3715 41.1564 178.4149 13 S 4.1441 7.7773 114.6953 60.9769 62.9026 176.4015 14 W 4.2089 8.2702 132.0905 60.3723 30.4767 178.1119 15 L 3.4887 7.9866 119.4334 57.0747 40.6105 178.2384 16 D 4.6766 7.9125 116.7958 53.0395 39.7478 177.1833 17 G 2.4995 6.8969 107.8099 45.9009 0.0000 174.5360 18 T 4.1177 7.6384 110.3536 62.7936 69.5682 175.3037 19 A 4.6160 7.8947 124.3121 51.1991 20.1006 176.7581 20 S 4.9299 8.3255 114.8315 56.0430 67.2451 174.8952 21 E 4.0324 8.8295 121.9209 59.6105 29.2172 178.2165 22 E 3.9215 8.2575 118.6843 59.3031 29.6649 178.4995 23 L 3.9763 8.0532 120.2246 58.2095 42.1492 178.8494 24 L 3.7509 8.0941 118.9269 57.8911 41.4088 179.8175 25 R 3.8572 8.1632 118.0215 58.9519 29.8586 179.2322 26 V 3.5425 7.7346 118.1233 65.9617 31.5430 178.0212 27 A 3.8797 7.8688 120.5421 54.8584 18.1367 179.8617 28 V 4.2021 7.8270 118.4218 65.7713 31.4192 177.7338 29 N 4.2690 8.2386 115.7389 56.7088 38.8413 176.3727 30 A 4.1974 8.0778 121.0926 53.1073 18.4718 178.4806 31 G 3.8753 7.7096 104.6601 46.0065 0.0000 174.1576 32 D 4.7024 8.0259 118.7896 55.1076 41.5879 176.3998 33 L 4.9424 7.3948 118.2535 52.4214 46.0009 175.3253 34 T 4.6729 8.7886 111.9796 60.4978 71.7709 175.7843 35 Q 3.9019 8.4271 122.0164 59.3599 28.9547 178.0318 36 E 3.9086 8.1126 119.8436 59.3207 29.6463 178.5530 37 E 4.0568 8.3727 118.4548 59.3410 29.5770 179.1327 38 A 3.8875 8.1764 120.9050 55.2701 18.1863 179.4723 39 D 4.2427 8.1939 116.8227 57.1741 41.1193 178.8869 40 K 4.1627 8.2602 119.2875 59.6181 32.1360 179.3120 41 I 3.6621 8.0906 120.4036 64.6222 36.7967 177.7230 42 M 3.3006 7.3823 116.0321 56.1584 31.8418 178.1100 43 S 4.3267 7.7958 115.8945 60.0530 63.3295 174.1451 44 Y 4.4485 7.4015 118.9634 56.1799 38.8076 173.3476 45 P 4.5619 0.0000 0.0000 62.0499 31.9049 175.8140 46 W 3.3126 8.9045 133.9800 58.1267 31.1083 175.5479 47 G 3.0511 7.6683 112.3394 45.8622 0.0000 175.0723 48 A 3.9093 7.2984 124.3856 54.9210 18.2660 180.3167 49 W 4.6582 7.7376 114.3741 58.2590 29.3775 176.1344 50 N 4.6821 8.1277 120.5344 53.4381 38.3417 173.9503 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 E 8.44 4.37 0.00 1.86 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 2.20 2.39 0.00 4 S 9.45 4.25 0.00 4.15 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 5 L 9.49 4.04 0.00 1.65 1.77 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.96 4.53 0.00 1.99 1.75 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 8.40 4.28 0.00 3.26 3.09 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 8 G 8.27 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.98 3.96 0.00 2.92 2.90 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 10 F 8.22 4.25 0.00 3.10 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 11 L 7.91 3.66 0.00 1.02 1.44 -0.06 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.27 4.25 0.00 2.84 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 13 S 7.78 4.14 0.00 4.02 3.71 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 14 W 8.27 4.21 0.00 3.41 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 15 L 7.99 3.49 0.00 0.96 0.13 0.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.91 4.68 0.00 2.80 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 17 G 6.90 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.64 4.12 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 1.16 0.00 0.00 19 A 7.89 4.62 1.55 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 0.00 0.00 20 S 8.33 4.93 0.00 4.03 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 21 E 8.83 4.03 0.00 2.20 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 0.00 2.39 2.37 0.00 22 E 8.26 3.92 0.00 2.08 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 2.40 2.38 0.00 23 L 8.05 3.98 0.00 1.83 1.91 1.15 0.82 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 24 L 8.09 3.75 0.00 1.79 1.54 0.53 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.16 3.86 0.00 1.96 1.95 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 26 V 7.73 3.54 2.25 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 1.10 0.00 0.00 0.98 0.00 0.00 27 A 7.87 3.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.83 4.20 2.17 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 1.04 0.00 0.00 0.91 0.00 0.00 29 N 8.24 4.27 0.00 2.70 2.99 0.00 0.00 7.26 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.08 4.20 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 31 G 7.71 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.03 4.70 0.00 2.80 2.99 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 0.00 0.00 0.00 0.00 33 L 7.39 4.94 0.00 1.54 1.47 0.60 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.79 4.67 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 1.22 0.00 0.00 35 Q 8.43 3.90 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 36 E 8.11 3.91 0.00 2.06 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 2.36 2.39 0.00 37 E 8.37 4.06 0.00 2.41 2.33 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 2.24 2.32 0.00 38 A 8.18 3.89 1.21 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 0.00 0.00 39 D 8.19 4.24 0.00 2.78 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 40 K 8.26 4.16 0.00 2.16 2.09 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.66 7.81 41 I 8.09 3.66 1.70 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.57 0.34 0.00 0.00 42 M 7.38 3.30 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.83 0.00 43 S 7.80 4.33 0.00 3.82 3.82 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 0.00 0.00 0.00 44 Y 7.40 4.45 0.00 3.21 2.97 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 45 P 0.00 4.56 0.00 2.26 2.28 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 46 W 8.90 3.31 0.00 2.30 2.82 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 0.00 0.00 0.00 47 G 7.67 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 0.00 0.00 0.00 48 A 7.30 3.91 1.15 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 0.00 0.00 49 W 7.74 4.66 0.00 3.19 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 50 N 8.13 4.68 0.00 2.85 2.95 0.00 0.00 6.83 8.42 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