NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3854 8.1633 120.3428 55.6310 34.4779 177.6213 2 E 3.4982 8.0506 117.9569 58.9834 29.6243 177.3037 3 T 4.0832 8.7625 116.5798 67.0358 68.8993 175.8873 4 I 3.7269 7.7571 120.7649 64.9049 37.1841 178.4847 5 T 3.8542 7.4557 116.0552 66.6763 68.3181 176.4642 6 Y 4.3118 7.8833 119.0538 61.2340 37.9946 178.7380 7 V 3.7319 8.3783 119.6348 65.8318 31.5152 177.5137 8 F 4.2640 8.5854 120.6224 61.6484 39.1601 176.9721 9 I 3.4196 7.8002 118.6170 64.3256 36.9718 178.0065 10 F 4.0261 8.1999 120.6601 61.5047 39.3800 177.0173 11 A 3.8731 8.6299 120.4390 55.3681 18.0536 179.4122 12 C 3.9355 7.9441 115.5939 62.6903 28.0692 176.3394 13 I 3.4657 7.5422 121.7392 64.2252 36.6157 178.5061 14 I 3.0643 7.1464 120.3921 63.8166 36.7842 178.3039 15 A 3.9384 7.6456 121.2568 55.1095 18.2642 178.9702 16 L 4.0191 7.9977 118.7736 58.8199 42.0120 178.9345 17 F 4.2827 8.5451 117.6591 61.3124 38.9056 177.1960 18 F 4.2226 8.5305 119.3889 62.1242 39.0232 177.0341 19 F 3.8670 8.4429 116.4520 60.6346 38.6249 177.8250 20 A 4.0578 8.4101 119.7818 55.1390 18.2650 179.5716 21 I 3.5921 7.6012 117.2872 64.1046 37.3756 177.9580 22 F 4.8380 7.8072 115.2575 57.4677 39.5253 175.8540 23 F 4.8649 8.6144 118.5742 56.8889 39.9440 174.9925 24 R 4.2948 8.0135 117.1102 55.2882 30.8935 175.0396 25 E 4.2924 8.4401 117.7269 54.5571 29.7190 174.9763 26 P 4.0302 0.0000 0.0000 62.4662 31.7253 174.4788 27 P 4.4350 0.0000 0.0000 62.2398 30.6131 175.6807 28 R 4.3255 8.2094 123.3172 55.0703 31.1883 176.9802 29 I 3.9959 8.1947 115.6250 60.5457 39.1297 175.9190 30 T 3.8895 8.2242 109.9745 62.2201 70.2543 172.2105 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 4.39 0.00 2.03 2.08 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 2.50 0.00 2 E 8.05 3.50 0.00 2.23 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 2.44 2.45 0.00 3 T 8.76 4.08 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 1.27 0.00 0.00 4 I 7.76 3.73 1.96 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 1.63 0.60 0.83 0.00 0.00 5 T 7.46 3.85 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 1.12 0.00 0.00 6 Y 7.88 4.31 0.00 3.14 2.96 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 0.00 0.00 0.00 7 V 8.38 3.73 2.18 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 0.98 0.00 0.00 1.02 0.00 0.00 8 F 8.59 4.26 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 9 I 7.80 3.42 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.81 0.92 0.00 0.00 10 F 8.20 4.03 0.00 3.23 3.31 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 0.00 0.00 0.00 11 A 8.63 3.87 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 12 C 7.94 3.94 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.47 1.46 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.33 0.00 0.00 14 I 7.15 3.06 1.53 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.44 0.81 0.00 0.00 15 A 7.65 3.94 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 16 L 8.00 4.02 0.00 1.90 1.95 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.55 4.28 0.00 3.21 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 18 F 8.53 4.22 0.00 3.04 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 19 F 8.44 3.87 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.06 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 21 I 7.60 3.59 1.16 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 1.24 0.45 -0.04 0.00 0.00 22 F 7.81 4.84 0.00 2.67 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 23 F 8.61 4.86 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.29 0.00 1.91 2.18 0.00 2.99 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 25 E 8.44 4.29 0.00 1.98 1.94 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 2.29 2.33 0.00 26 P 0.00 4.03 0.00 2.01 2.01 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 27 P 0.00 4.43 0.00 2.16 2.09 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 28 R 8.21 4.33 0.00 1.81 1.88 0.00 3.35 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 29 I 8.19 4.00 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.41 0.90 0.00 0.00 30 T 8.22 3.89 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