NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2768 8.3044 120.3239 55.1577 32.6637 174.9309 2 E 4.0578 8.6568 126.4852 54.6396 29.0217 169.8548 3 V 4.4881 7.9361 118.7517 58.6755 36.3555 174.6815 4 N 4.4616 8.3470 118.8425 53.8887 39.2260 174.4796 5 Q 4.1214 8.5381 124.4274 58.5226 29.3052 177.3262 6 L 4.5371 8.2062 115.9426 54.5448 41.8815 178.3833 7 G 4.2546 7.9157 107.6037 48.3653 0.0000 175.4715 8 F 4.4931 8.0993 120.3198 60.2652 38.5716 177.7159 9 I 4.0854 7.9584 118.7424 64.8144 37.0274 176.9236 10 A 4.3452 9.5038 124.0090 53.2215 17.7334 179.2466 11 T 3.8195 7.7325 115.8562 66.7714 69.4805 175.7155 12 A 4.0686 8.7575 122.2091 55.5507 18.2986 179.2285 13 L 3.7614 8.1515 115.1816 57.9335 41.7151 179.9002 14 F 4.0821 8.2483 119.7204 61.1187 39.6563 177.0495 15 V 3.8064 8.6809 118.7028 65.8884 31.5549 178.1575 16 L 4.0759 7.8199 118.1229 57.3553 41.2913 179.7572 17 V 3.6035 7.7356 118.2210 65.2705 31.8467 175.9643 18 P 4.4684 0.0000 0.0000 65.5881 31.4493 178.0257 19 S 3.9885 7.8419 112.5729 61.3684 62.2468 176.2807 20 V 3.6436 7.7644 120.6638 66.3209 31.0718 177.2723 21 F 4.4159 8.2318 120.4793 61.0214 39.2133 176.6481 22 L 3.4953 7.7800 117.6901 57.9665 41.5932 179.3617 23 I 3.6410 7.9855 119.6877 64.9573 37.0923 177.8962 24 I 3.6943 8.0564 120.2349 64.8384 36.5683 178.2891 25 L 3.9923 8.2149 119.5146 57.9511 41.3529 178.9684 26 Y 3.9242 7.8652 119.8007 60.3365 38.7781 177.3255 27 V 3.6269 7.9792 118.3478 64.8838 31.7398 177.4179 28 Q 4.1492 8.0665 116.6109 59.3295 29.0196 177.6197 29 T 4.9492 7.0159 118.3134 64.9461 68.8719 176.1302 30 E 4.0196 8.2675 118.5571 57.1604 29.6961 177.4145 31 S 5.5172 7.2401 113.5282 58.4819 63.5702 175.6621 32 Q 3.9495 8.0823 124.4906 59.5081 28.6203 177.8409 33 Q 4.1523 7.9308 114.3256 55.6848 29.0040 177.2873 34 K 4.1733 7.8700 119.0313 56.3357 32.8320 176.4996 35 S 4.2730 7.3018 113.0106 59.5406 63.7724 174.5886 36 S 4.6089 8.7422 116.6272 59.0455 62.0643 169.8792 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 8.30 4.28 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 2 E 8.66 4.06 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 3 V 7.94 4.49 2.02 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 0.74 0.00 0.00 0.85 0.00 0.00 4 N 8.35 4.46 0.00 2.65 2.68 0.00 0.00 6.89 7.08 0.00 0.00 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 Q 8.54 4.12 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 6 L 8.21 4.54 0.00 1.74 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 G 7.92 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 0.00 0.00 0.00 0.00 8 F 8.10 4.49 0.00 3.10 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 9 I 7.96 4.09 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.98 0.96 0.00 0.00 10 A 9.50 4.35 1.28 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 0.00 0.00 11 T 7.73 3.82 4.50 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 1.26 0.00 0.00 12 A 8.76 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.76 0.00 2.00 1.82 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.25 4.08 0.00 3.21 3.35 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 15 V 8.68 3.81 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 1.02 0.00 0.00 1.20 0.00 0.00 16 L 7.82 4.08 0.00 1.75 1.72 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.74 3.60 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 0.81 0.00 0.00 0.93 0.00 0.00 18 P 0.00 4.47 0.00 2.23 2.13 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.82 0.00 19 S 7.84 3.99 0.00 4.16 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.76 3.64 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 1.07 0.00 0.00 0.98 0.00 0.00 21 F 8.23 4.42 0.00 3.04 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 22 L 7.78 3.50 0.00 1.73 1.57 0.83 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.99 3.64 2.07 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 1.74 1.23 0.92 0.00 0.00 24 I 8.06 3.69 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 1.00 0.00 0.00 25 L 8.21 3.99 0.00 1.62 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.87 3.92 0.00 3.07 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 27 V 7.98 3.63 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.18 0.00 0.00 28 Q 8.07 4.15 0.00 2.24 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 29 T 7.02 4.95 4.10 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 0.00 0.00 1.16 0.00 0.00 30 E 8.27 4.02 0.00 1.16 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 31 S 7.24 5.52 0.00 4.04 4.07 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 32 Q 8.08 3.95 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 33 Q 7.93 4.15 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.68 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 34 K 7.87 4.17 0.00 1.90 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.40 7.81 35 S 7.30 4.27 0.00 3.99 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 36 S 8.74 4.61 0.00 3.93 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 0.00