NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 E 4.2840 8.4449 118.8012 55.4135 31.1484 175.6852 10 P 4.3502 0.0000 0.0000 61.4080 32.6353 170.0083 11 V 3.9849 9.4379 121.6218 62.4138 30.5792 172.5151 12 S 4.4371 7.6579 118.3677 58.4501 60.9359 172.1403 13 Y 3.6322 8.2050 117.9387 57.7549 36.1623 170.7571 14 P 4.1665 0.0000 0.0000 61.1602 30.8791 176.7030 15 I 3.0032 8.2118 127.0193 61.4164 35.3718 173.9957 16 F 4.5888 6.7723 117.3880 57.0084 39.1544 175.4906 17 T 4.1426 7.4619 113.0337 61.2061 69.5590 175.2307 18 V 3.6596 8.8630 125.9395 66.2267 31.5312 177.6288 19 R 3.9478 8.2518 117.7893 59.5847 29.6127 177.8213 20 W 4.1143 8.5510 128.0729 60.5669 30.7263 177.5466 21 V 3.5985 8.7126 118.1975 66.4252 30.6422 177.7145 22 A 3.8891 7.9343 120.4998 54.9266 18.0213 179.5938 23 V 3.3213 7.4985 116.4855 66.0704 31.3689 177.4757 24 H 4.0148 7.5559 114.9921 57.6670 29.0818 177.2116 25 T 3.7821 7.5890 111.1776 64.1610 68.2720 175.7805 26 L 4.1625 7.4499 121.4179 57.6470 42.3933 177.6337 27 A 3.9440 7.5006 120.1677 54.6069 17.9280 179.5195 28 V 3.3451 8.3637 113.3125 65.4029 32.0147 176.7394 29 P 4.3175 0.0000 0.0000 66.3327 31.1597 178.2179 30 T 4.0292 7.9542 113.4598 67.2704 68.4029 176.3882 31 I 3.8005 7.9416 121.1689 64.5722 37.1996 178.1715 32 F 4.0606 8.6702 121.6031 60.9749 39.0145 177.0766 33 F 4.1288 8.6338 117.1286 60.2424 39.1233 177.8496 34 L 3.4328 9.0674 121.0341 57.7413 41.6869 178.9523 35 G 3.5979 7.8535 104.7399 46.7043 0.0000 175.4080 36 A 3.8083 7.1841 121.9826 54.9409 18.4727 179.6284 37 I 3.8209 8.7264 118.7352 64.5704 37.1063 178.5233 38 A 4.0657 7.4082 119.0207 54.6431 18.4796 178.8413 39 A 4.2244 7.9140 119.3184 54.8401 18.7492 179.5570 40 M 4.1573 8.2814 117.5864 58.3209 31.8774 178.5852 41 Q 3.4645 8.3239 117.0591 59.0571 28.9404 177.7421 42 F 4.2002 7.8177 113.0246 57.7600 39.2607 175.8100 43 I 3.9870 8.5261 124.4130 61.3403 37.6031 175.3151 44 Q 4.3233 8.7248 125.9775 57.6621 29.8652 175.4786 45 R 4.1982 7.6297 119.3229 56.6961 31.1080 174.7621 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 9 E 8.44 4.28 0.00 2.12 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 0.00 2.20 2.37 0.00 10 P 0.00 4.35 0.00 2.16 2.08 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 11 V 9.44 3.98 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 0.69 0.00 0.00 0.92 0.00 0.00 12 S 7.66 4.44 0.00 3.95 3.98 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 13 Y 8.21 3.63 0.00 3.09 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.17 0.00 1.99 1.93 0.00 4.04 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 15 I 8.21 3.00 0.88 0.00 0.00 0.64 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 -0.05 0.25 0.00 0.00 16 F 6.77 4.59 0.00 3.03 3.02 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 17 T 7.46 4.14 4.31 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 1.23 0.00 0.00 18 V 8.86 3.66 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 19 R 8.25 3.95 0.00 1.96 2.03 0.00 3.26 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 20 W 8.55 4.11 0.00 3.38 3.39 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 21 V 8.71 3.60 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.27 0.00 0.00 22 A 7.93 3.89 1.31 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 0.00 0.00 23 V 7.50 3.32 2.15 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 0.84 0.00 0.00 0.95 0.00 0.00 24 H 7.56 4.01 0.00 2.36 2.86 0.00 5.89 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 7.59 3.78 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 1.21 0.00 0.00 26 L 7.45 4.16 0.00 1.61 1.68 0.88 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 27 A 7.50 3.94 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.36 3.35 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 1.10 0.00 0.00 0.91 0.00 0.00 29 P 0.00 4.32 0.00 2.29 2.35 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 30 T 7.95 4.03 4.49 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 1.24 0.00 0.00 31 I 7.94 3.80 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.95 0.00 0.00 32 F 8.67 4.06 0.00 3.16 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.63 4.13 0.00 3.28 3.11 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 0.00 0.00 0.00 0.00 34 L 9.07 3.43 0.00 1.88 1.84 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.85 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.18 3.81 1.18 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 0.00 0.00 37 I 8.73 3.82 1.92 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 1.53 0.85 0.94 0.00 0.00 38 A 7.41 4.07 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 39 A 7.91 4.22 1.35 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 0.00 0.00 40 M 8.28 4.16 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.59 0.00 41 Q 8.32 3.46 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 2.69 2.38 0.00 42 F 7.82 4.20 0.00 3.30 3.13 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 43 I 8.53 3.99 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.98 0.00 0.00 44 Q 8.72 4.32 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 45 R 7.63 4.20 0.00 1.80 1.75 0.00 3.30 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00