NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.2859 8.1744 117.3830 63.0388 68.7542 174.2028 1G F 3.3365 9.0182 128.0517 58.2153 40.5661 171.5839 1F G 3.7905 8.4977 110.2117 45.3163 0.0000 172.5314 1E S 4.9658 8.3583 122.2107 57.7483 63.8461 177.7458 1D G 3.9631 8.3462 112.5838 44.0174 0.0000 172.4339 1C E 3.8166 6.7192 122.0424 55.3708 29.0554 178.0428 1B A 3.5744 6.6875 119.9703 54.8343 20.5439 177.7670 1A D 4.7094 7.8271 113.0599 54.1442 41.3238 176.6166 1 C 4.1838 8.3686 113.4022 58.8436 29.9971 174.6879 2 G 3.9128 8.7540 109.3157 45.9230 0.0000 173.9032 3 L 4.4262 7.2896 120.3955 52.4927 40.9873 175.8106 4 R 4.0060 8.3783 122.9844 55.8438 30.3640 176.1177 5 P 4.4561 0.0000 0.0000 63.8819 31.1399 176.4983 6 L 4.5378 7.9476 116.8124 54.6237 41.9522 176.4654 7 F 4.6297 7.0935 115.9141 58.6725 42.3407 176.5568 8 E 4.0623 8.1741 120.0580 59.7556 30.1225 179.6725 9 K 3.6252 8.1871 119.2442 58.5808 32.5660 177.2874 10 K 4.5598 7.5145 117.5149 58.2231 33.1260 176.2310 11 S 3.6722 8.6461 111.5394 61.1528 61.0096 170.9948 12 L 4.9621 8.4484 118.3441 52.9753 45.6553 176.2204 13 E 5.0176 8.4821 118.2273 54.5462 32.5716 176.0626 14 D 4.8646 8.3730 121.1469 52.1808 40.5440 177.2800 14A K 3.7908 8.6598 119.0432 60.5363 31.2760 177.9350 14B T 4.4208 7.6891 108.7001 60.7621 69.3863 176.4353 14C E 4.1369 8.0598 126.2143 59.6210 29.9708 178.8756 14D R 3.9015 7.9719 118.8526 58.9382 30.4511 177.7854 14E E 3.5903 7.7090 116.2147 57.9188 29.9881 178.3288 14F L 4.2027 7.3977 118.4944 57.1149 41.2623 178.2519 14G L 3.0801 7.8220 118.9743 57.6607 41.5572 177.9686 14H E 3.0597 7.9746 113.8529 59.7671 30.5111 178.6423 14I S 4.4485 6.9204 116.7921 58.7971 61.7847 174.7890 14J Y 4.8572 7.7168 131.7692 57.7351 36.7683 174.7305 14K I 3.2014 7.5260 122.7855 60.5677 35.2756 174.2849 14L D 4.6668 7.7747 122.2689 55.1271 42.6773 177.6776 14M G 4.0112 7.5649 106.7097 44.7184 0.0000 173.5195 15 R 4.2529 8.2697 118.3838 56.2861 30.3817 175.1612 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 1H T 8.17 4.29 4.33 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 0.00 0.00 1.25 0.00 0.00 1G F 9.02 3.34 0.00 3.08 2.84 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 0.00 0.00 0.00 1F G 8.50 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E S 8.36 4.97 0.00 4.08 4.15 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 1D G 8.35 3.96 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 0.00 0.00 0.00 1C E 6.72 3.82 0.00 2.25 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 2.09 1.68 0.00 1B A 6.69 3.57 1.34 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 0.00 0.00 1A D 7.83 4.71 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 4.18 0.00 3.13 3.17 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 0.00 0.00 0.00 0.00 2 G 8.75 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.29 4.43 0.00 1.61 1.68 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.38 4.01 0.00 2.20 2.10 0.00 3.09 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 5 P 0.00 4.46 0.00 2.19 2.18 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 6 L 7.95 4.54 0.00 1.41 1.13 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.09 4.63 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.17 4.06 0.00 2.31 2.00 0.00 0.00 0.00 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 2.44 0.00 9 K 8.19 3.63 0.00 1.78 1.90 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.43 7.81 10 K 7.51 4.56 0.00 1.77 1.78 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.33 7.81 11 S 8.65 3.67 0.00 3.90 3.91 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 0.00 0.00 0.00 12 L 8.45 4.96 0.00 1.51 1.58 0.84 0.98 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 13 E 8.48 5.02 0.00 1.96 1.89 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 0.00 2.49 2.29 0.00 14 D 8.37 4.86 0.00 2.74 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 0.00 0.00 0.00 14A K 8.66 3.79 0.00 1.88 2.04 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14B T 7.69 4.42 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 14C E 8.06 4.14 0.00 2.22 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 2.24 2.17 0.00 14D R 7.97 3.90 0.00 1.89 1.88 0.00 3.25 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 14E E 7.71 3.59 0.00 2.33 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 0.00 2.39 2.20 0.00 14F L 7.40 4.20 0.00 1.76 1.78 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.82 3.08 0.00 1.61 1.54 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14H E 7.97 3.06 0.00 2.08 1.68 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 2.29 2.41 0.00 14I S 6.92 4.45 0.00 4.08 3.90 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 14J Y 7.72 4.86 0.00 3.02 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 14K I 7.53 3.20 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.36 0.93 0.00 0.00 14L D 7.77 4.67 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14M G 7.56 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 0.00 0.00 0.00 15 R 8.27 4.25 0.00 1.99 1.76 0.00 3.32 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 1.52 1.70 0.00