NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3891 8.1127 119.7206 56.2530 31.9931 177.4778 3 Y 4.1230 8.5688 120.3865 58.6584 39.2142 174.1577 4 P 4.5130 0.0000 0.0000 65.5466 32.2635 176.8385 5 Y 4.0086 8.0172 114.2494 60.1526 37.8723 177.1468 6 Y 4.3640 7.4683 117.7407 61.0039 38.4165 177.0066 7 L 4.1360 7.7980 119.1350 57.9113 42.2006 178.5955 8 S 4.6088 7.9917 111.1460 58.6523 61.6312 174.6364 9 D 4.5487 7.5846 118.4193 55.9090 41.6817 177.1624 10 I 4.0988 7.6256 118.2519 63.3035 38.8688 176.9581 11 T 4.7514 7.7850 109.3248 61.9366 68.9330 176.3712 12 D 4.2409 8.2157 123.1126 56.7822 39.4652 177.0694 13 A 4.4988 7.6475 120.2579 51.8621 20.3398 177.9262 14 F 4.1082 8.3390 114.2283 59.6054 39.3997 176.6770 15 S 4.5939 7.6641 119.5520 55.8244 62.1710 171.7075 16 P 4.5123 0.0000 0.0000 64.7545 32.6540 178.7992 17 Q 3.9522 7.9991 118.4180 58.3461 28.7806 179.1496 18 V 3.6443 7.9248 118.4132 65.8245 31.3370 177.7851 19 L 3.9153 7.9468 119.9167 58.0306 41.9521 178.5224 20 A 4.0127 8.0720 119.9020 55.2399 17.9868 178.8129 21 A 3.9719 7.8460 118.9887 55.7920 18.4075 179.9090 22 V 3.6422 8.0199 116.1861 66.4832 31.5233 178.3457 23 I 3.9842 8.0089 119.2672 63.9636 36.6524 178.1063 24 F 3.9601 8.2696 121.4426 61.3652 39.5074 176.9504 25 I 4.0368 7.8516 119.1251 64.5303 36.3194 177.7662 26 Y 3.9055 8.1982 120.2125 60.1769 38.2990 177.6221 27 F 4.3584 8.5228 121.9759 59.7936 39.5917 177.0178 28 A 4.0689 7.8970 119.9779 54.7666 18.6005 178.8076 29 A 4.2798 7.6606 117.6912 54.1237 19.4648 178.9984 30 L 4.3498 6.8636 111.9667 54.9351 42.2229 179.6781 31 S 3.8805 7.8648 115.6153 60.6637 62.4433 174.1664 32 P 4.5914 0.0000 0.0000 62.9234 31.5218 176.8787 33 A 4.1630 7.4015 120.6459 56.2542 17.7499 178.3660 34 I 3.3646 7.5079 114.0438 66.1834 37.2158 177.1878 35 T 4.1485 7.7238 117.9588 63.4030 68.2885 175.1810 36 F 4.6536 7.3478 123.8534 57.6966 39.9500 175.4709 37 G 3.5990 7.6592 116.8891 46.6547 0.0000 171.0964 38 G 4.0825 7.1120 127.0700 44.8812 0.0000 169.3168 39 L 4.2892 7.3611 125.5492 55.3580 41.9304 176.6001 40 L 4.4528 8.5152 123.3148 55.8537 43.4593 176.2294 41 G 4.2608 7.4027 104.3319 44.3137 0.0000 172.9162 42 E 4.1020 8.8528 122.1179 58.7842 29.9056 177.3612 43 K 4.1529 7.9733 121.1495 57.0988 32.5807 176.4815 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 R 8.11 4.39 0.00 1.81 1.66 0.00 2.88 0.00 0.00 2.76 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 3 Y 8.57 4.12 0.00 3.00 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 4 P 0.00 4.51 0.00 2.23 2.31 0.00 3.90 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 5 Y 8.02 4.01 0.00 2.98 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 6 Y 7.47 4.36 0.00 3.44 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 7 L 7.80 4.14 0.00 1.66 1.68 0.69 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.99 4.61 0.00 3.90 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 7.58 4.55 0.00 3.08 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 10 I 7.63 4.10 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.87 0.00 0.00 11 T 7.79 4.75 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 1.23 0.00 0.00 12 D 8.22 4.24 0.00 2.80 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 13 A 7.65 4.50 1.13 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 0.00 0.00 14 F 8.34 4.11 0.00 3.06 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 15 S 7.66 4.59 0.00 3.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.25 2.38 0.00 3.78 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 2.02 1.96 0.00 17 Q 8.00 3.95 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 18 V 7.92 3.64 2.11 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 1.01 0.00 0.00 0.94 0.00 0.00 19 L 7.95 3.92 0.00 1.99 1.72 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.07 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.64 2.29 0.00 0.00 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 1.03 0.00 0.00 23 I 8.01 3.98 2.16 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 1.16 0.00 0.00 24 F 8.27 3.96 0.00 3.09 3.23 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 0.00 0.00 0.00 0.00 25 I 7.85 4.04 2.12 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 1.52 0.77 0.97 0.00 0.00 26 Y 8.20 3.91 0.00 3.10 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 27 F 8.52 4.36 0.00 3.28 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.90 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.66 4.28 1.24 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 0.00 0.00 0.00 30 L 6.86 4.35 0.00 0.27 1.07 0.62 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 31 S 7.86 3.88 0.00 3.83 3.72 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 32 P 0.00 4.59 0.00 2.26 2.23 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 33 A 7.40 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.51 3.36 1.93 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 1.56 0.64 0.96 0.00 0.00 35 T 7.72 4.15 4.28 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 1.27 0.00 0.00 36 F 7.35 4.65 0.00 3.11 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 37 G 7.66 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 38 G 7.11 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.36 4.29 0.00 1.74 1.63 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.52 4.45 0.00 1.65 1.73 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.40 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 0.00 0.00 0.00 0.00 42 E 8.85 4.10 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 43 K 7.97 4.15 0.00 1.86 1.81 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.44 7.81