NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9353 8.3549 109.7353 44.9404 0.0000 174.0410 3 K 3.8443 8.5906 124.0459 55.5797 32.7929 170.8552 4 V 4.5001 8.5611 121.9423 61.4110 35.8183 173.4619 5 Y 5.0995 8.7958 123.6796 56.0561 41.3883 174.6150 6 K 4.5315 8.3492 121.7848 54.4383 35.8116 174.8322 7 K 4.9609 8.4158 123.6452 54.6350 35.0882 175.8856 8 V 4.5933 8.6760 117.0970 59.4926 35.6420 173.9900 9 E 5.0466 8.7442 124.0251 54.7687 30.9991 174.8443 10 L 4.9110 9.1329 126.1129 52.8737 46.4978 175.8229 11 V 4.6478 8.2438 118.9691 61.3308 33.6086 174.7089 12 G 4.1598 8.7895 116.4708 45.5403 0.0000 171.4615 13 T 5.8331 7.8502 112.1021 58.8823 72.4306 172.8380 14 S 4.6601 8.1190 113.2121 58.4172 65.1106 176.7121 15 E 4.7043 9.1514 123.7396 57.2700 30.2659 177.6230 16 E 4.1506 8.2485 118.4494 57.6574 30.1637 176.6219 17 G 3.4040 7.2264 104.1909 44.3390 0.0000 173.1820 18 L 3.7277 7.3050 118.1790 57.9112 41.4948 179.1855 19 E 3.8807 8.1411 117.6291 59.6639 29.2933 179.4073 20 A 3.9100 7.8531 119.7802 55.0141 18.5271 179.3795 21 A 4.0807 7.8347 118.8561 55.2757 18.4596 179.9250 22 I 3.4726 7.6854 118.2586 64.6616 37.1742 178.6548 23 Q 3.8716 8.1651 118.7219 58.7454 28.5128 178.7923 24 A 3.9118 8.2203 121.7571 55.1003 18.4486 179.4388 25 A 3.8805 7.8118 119.1467 55.4818 18.4834 179.9401 26 L 3.8735 7.9598 117.1566 57.6550 41.3741 179.6669 27 A 3.9446 8.1653 120.5838 55.1908 18.6896 179.4188 28 R 3.9259 7.9909 116.9749 59.1580 30.0893 178.4915 29 A 3.8774 7.9731 120.8266 55.3059 18.1832 179.6512 30 R 3.8189 7.7375 115.1447 59.4823 30.1107 179.0853 31 K 4.1450 7.7520 117.7975 58.5705 32.1318 177.7410 32 T 4.5029 7.7133 105.1915 60.6396 70.3581 173.4828 33 L 4.4982 7.7573 122.0387 52.8174 44.1962 175.8863 34 R 4.5038 7.9397 120.2230 55.6683 33.1021 174.9803 35 H 4.1515 8.4691 113.9583 56.7960 25.9533 175.2388 36 L 4.4982 8.1917 119.0012 55.5405 42.0818 176.3177 37 D 5.1960 9.3995 123.8386 55.3721 43.1486 176.2425 38 W 5.4956 7.8272 113.2779 55.3613 31.9046 173.2081 39 F 5.3355 8.2952 113.8471 55.4779 40.9589 173.7437 40 E 4.6953 9.4056 119.2688 54.6376 33.4210 174.9607 41 V 4.2950 8.6893 124.8608 62.9637 31.7532 175.3600 42 K 4.4666 9.3609 127.9161 58.1702 33.3586 176.8076 43 E 4.8505 7.9277 116.8153 54.8527 34.5459 174.6506 44 I 5.0516 8.3284 121.7657 59.9594 40.5620 174.6644 45 R 4.6101 8.9039 124.0464 56.3719 33.2633 173.5651 46 G 4.2465 8.0629 105.2548 46.9171 0.0000 172.4950 47 T 4.7622 8.0542 109.9536 60.0082 71.5426 173.6241 48 I 4.7707 8.2687 123.3488 59.8035 39.9111 175.2656 49 G 4.3479 9.1338 116.7412 43.6489 0.0000 173.1293 50 E 3.9202 8.8207 117.1707 58.7214 29.4877 177.7477 51 A 4.5443 7.6832 119.0716 51.4286 20.7558 176.1190 52 G 4.1016 7.2613 103.0603 44.0222 0.0000 177.5503 53 V 3.8364 8.4358 126.2211 62.6113 30.9553 174.5575 54 K 4.1877 8.3785 131.0808 57.8972 31.9746 175.9555 55 E 4.8758 8.2916 117.8298 54.6485 33.8841 173.9742 56 Y 4.7160 9.2198 121.8528 57.2872 40.0308 174.5722 57 Q 4.9851 9.5074 122.4064 54.1828 32.5027 174.3910 58 V 4.6632 8.8769 125.1717 61.0690 33.9471 174.4768 59 V 4.6261 8.6558 129.2552 62.0738 32.7845 174.7604 60 L 5.2686 9.1520 127.3344 54.5203 44.6661 174.4125 61 E 5.1086 9.4140 119.6771 54.6797 32.3217 175.1783 62 V 4.5502 8.8651 124.5253 61.0628 34.0596 174.3209 63 G 2.9294 8.1568 116.0724 44.1300 0.0000 172.3539 64 F 5.6922 8.2957 118.1892 54.9686 41.8988 173.5853 65 R 4.0526 8.8326 122.0761 56.2817 30.4409 175.9773 66 L 4.4498 8.3396 127.3083 54.2460 42.4077 177.0678 67 E 4.0329 8.7761 122.6942 57.2437 30.3777 176.8223 68 E 4.0900 8.6609 119.8729 57.0137 29.2642 174.5116 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 2 G 8.35 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 0.00 0.00 0.00 0.00 3 K 8.59 3.84 0.00 1.82 1.42 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.56 4.50 1.99 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 1.08 0.00 0.00 0.96 0.00 0.00 5 Y 8.80 5.10 0.00 3.03 3.01 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 6 K 8.35 4.53 0.00 1.43 0.74 0.00 1.60 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.11 1.25 7.81 7 K 8.42 4.96 0.00 1.59 1.59 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.02 1.36 7.81 8 V 8.68 4.59 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 0.92 0.00 0.00 1.09 0.00 0.00 9 E 8.74 5.05 0.00 1.98 1.85 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 2.22 2.33 0.00 10 L 9.13 4.91 0.00 1.53 1.49 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.65 2.08 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 0.85 0.00 0.00 0.94 0.00 0.00 12 G 8.79 4.16 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 0.00 13 T 7.85 5.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 S 8.12 4.66 0.00 3.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.15 4.70 0.00 2.02 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 2.41 2.33 0.00 16 E 8.25 4.15 0.00 2.00 2.01 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 2.36 2.41 0.00 17 G 7.23 3.40 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 0.00 18 L 7.31 3.73 0.00 1.54 1.62 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.14 3.88 0.00 1.98 1.97 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 2.38 2.43 0.00 20 A 7.85 3.91 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 21 A 7.83 4.08 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.47 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.28 0.00 0.00 23 Q 8.17 3.87 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.22 3.91 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.81 3.88 1.33 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 0.00 0.00 0.00 26 L 7.96 3.87 0.00 1.74 1.65 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.17 3.94 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 28 R 7.99 3.93 0.00 1.93 2.02 0.00 3.12 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.97 3.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.82 0.00 1.94 1.99 0.00 3.15 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.89 0.00 31 K 7.75 4.15 0.00 1.81 1.83 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.55 7.81 32 T 7.71 4.50 4.17 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 1.16 0.00 0.00 33 L 7.76 4.50 0.00 1.33 0.76 0.53 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.94 4.50 0.00 1.72 1.53 0.00 3.40 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 35 H 8.47 4.15 0.00 3.67 3.53 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.19 4.50 0.00 1.67 1.68 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.40 5.20 0.00 3.01 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 38 W 7.83 5.50 0.00 3.23 3.16 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 39 F 8.30 5.34 0.00 3.05 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 40 E 9.41 4.70 0.00 1.94 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 2.35 2.51 0.00 41 V 8.69 4.30 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 0.83 0.00 0.00 1.14 0.00 0.00 42 K 9.36 4.47 0.00 1.78 1.86 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.58 7.81 43 E 7.93 4.85 0.00 1.89 1.79 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 2.31 2.36 0.00 44 I 8.33 5.05 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.98 0.00 0.00 45 R 8.90 4.61 0.00 1.82 2.03 0.00 3.01 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 46 G 8.06 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 47 T 8.05 4.76 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 1.19 0.00 0.00 48 I 8.27 4.77 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.61 0.91 0.00 0.00 49 G 9.13 4.35 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 0.00 50 E 8.82 3.92 0.00 1.96 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 0.00 2.30 2.29 0.00 51 A 7.68 4.54 1.25 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 52 G 7.26 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 0.00 0.00 0.00 0.00 53 V 8.44 3.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.71 0.00 0.00 54 K 8.38 4.19 0.00 1.79 1.77 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.38 7.81 55 E 8.29 4.88 0.00 1.83 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 56 Y 9.22 4.72 0.00 2.95 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.51 4.99 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.88 4.66 2.07 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 1.01 0.00 0.00 0.94 0.00 0.00 59 V 8.66 4.63 2.20 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 0.94 0.00 0.00 0.95 0.00 0.00 60 L 9.15 5.27 0.00 2.02 1.77 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.41 5.11 0.00 1.90 1.83 0.00 0.00 0.00 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 2.25 0.00 62 V 8.87 4.55 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 0.95 0.00 0.00 0.92 0.00 0.00 63 G 8.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.30 5.69 0.00 3.38 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 65 R 8.83 4.05 0.00 2.16 1.95 0.00 3.12 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 0.00 66 L 8.34 4.45 0.00 1.62 1.56 0.87 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.78 4.03 0.00 1.99 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 2.33 2.37 0.00 68 E 8.66 4.09 0.00 2.13 1.98 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 2.19 2.29 0.00