NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1443 8.3049 120.3508 56.4328 33.6059 177.4842 2 K 4.2506 7.5299 112.2750 56.4839 28.1664 173.3939 3 R 4.0439 9.0864 124.7701 56.6123 30.7999 176.4144 4 T 4.2997 8.0706 128.0140 65.0670 72.5344 174.2180 5 Y 4.1110 8.6277 117.8763 60.0356 38.1336 174.8952 6 Q 3.8409 8.1211 118.5891 54.9777 28.1853 175.1689 7 P 4.4437 0.0000 0.0000 62.3044 31.9880 176.7255 8 N 4.7998 8.2736 122.0021 52.0768 38.7116 175.4049 9 N 3.6271 8.7161 117.1817 55.3481 39.1174 177.3994 10 R 3.4374 7.5310 116.9206 59.3471 31.1476 178.0188 11 K 3.8845 8.4016 119.2855 58.5367 32.2493 179.1629 12 R 3.7717 8.4333 117.8766 59.6420 30.3730 178.0593 13 A 3.9202 7.8106 118.9733 56.1607 18.4343 179.1023 14 K 3.4727 8.4750 114.1999 60.1632 32.1709 178.5349 15 T 3.9888 7.9036 114.1177 66.0624 69.2945 173.1782 16 H 4.9651 8.4153 117.5553 52.8070 31.7531 172.2687 17 G 3.8948 9.4379 106.1584 45.0369 0.0000 174.2416 18 F 3.5499 7.7957 114.7411 59.3190 39.4889 179.0698 19 R 3.4422 8.9516 116.6605 58.4303 30.9458 177.9967 20 A 3.8106 7.8229 119.5732 55.4005 19.2980 179.3800 21 R 3.8623 8.6738 115.8325 59.7551 30.1584 179.0377 22 M 4.0368 8.3914 116.7448 59.4575 32.1054 179.7330 23 K 4.7108 7.5339 117.3053 58.2391 32.6364 176.0343 24 T 4.5418 6.9461 112.1243 59.4331 69.3953 173.4315 25 K 3.8837 8.1134 122.2044 59.1525 31.5690 179.4803 26 S 3.9944 8.3149 113.3119 62.1628 63.4644 177.2694 27 G 3.8871 8.1429 106.5555 46.8404 0.0000 175.2477 28 R 4.0452 7.5869 119.0221 59.5808 30.8284 177.5800 29 N 3.8732 8.7341 112.8053 57.8396 38.4488 176.6659 30 I 3.6772 8.1637 124.2658 64.4046 37.6590 178.3469 31 L 3.9721 8.0846 120.1820 57.8220 41.5483 179.2648 32 A 3.9955 8.1266 119.8428 56.2771 18.3269 179.0668 33 R 3.4995 8.2886 113.5959 60.2448 29.9925 178.4039 34 R 3.7790 9.3108 118.3587 61.0564 30.4366 180.9244 35 R 3.1059 8.7561 112.0078 56.9570 30.4167 178.4748 36 A 3.9425 7.9940 124.4564 55.6984 19.2510 179.0652 37 K 3.9501 7.8825 116.0152 59.9108 32.2667 178.4576 38 G 4.2566 8.5649 101.9998 45.9494 0.0000 173.4208 39 R 4.1945 7.5502 117.7340 54.6640 27.8330 179.2380 40 H 4.2540 8.7467 125.6609 56.3171 27.6749 174.0390 41 Q 4.7268 8.0723 120.3113 56.2857 29.3349 176.0922 42 L 4.6533 9.4518 125.8795 55.2161 47.5825 177.7355 43 T 3.9112 8.4882 102.8339 64.6685 69.3351 175.8179 44 V 3.2709 8.6725 118.9512 65.5211 32.4421 175.7522 45 S 4.3713 7.2772 113.6179 61.3410 62.8200 174.1145 46 D 4.4807 10.0640 124.8827 52.9227 39.0994 175.7566 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 4.14 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 2 K 7.53 4.25 0.00 1.95 2.11 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.53 7.81 3 R 9.09 4.04 0.00 1.96 2.04 0.00 3.35 0.00 0.00 3.28 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 4 T 8.07 4.30 3.92 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 0.00 0.00 1.13 0.00 0.00 5 Y 8.63 4.11 0.00 2.88 3.03 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 0.00 0.00 0.00 6 Q 8.12 3.84 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 7 P 0.00 4.44 0.00 2.19 2.10 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 8 N 8.27 4.80 0.00 2.73 2.79 0.00 0.00 7.11 6.92 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 9 N 8.72 3.63 0.00 2.74 2.68 0.00 0.00 7.03 7.66 0.00 0.00 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 R 7.53 3.44 0.00 1.87 1.82 0.00 3.14 0.00 0.00 3.26 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 11 K 8.40 3.88 0.00 1.81 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 12 R 8.43 3.77 0.00 1.91 1.90 0.00 3.15 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 13 A 7.81 3.92 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 14 K 8.48 3.47 0.00 1.82 1.76 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.69 7.81 15 T 7.90 3.99 4.24 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 1.20 0.00 0.00 16 H 8.42 4.97 0.00 3.16 3.21 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 9.44 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 18 F 7.80 3.55 0.00 3.17 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.95 3.44 0.00 1.93 1.85 0.00 3.22 0.00 0.00 3.39 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.93 0.00 20 A 7.82 3.81 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 21 R 8.67 3.86 0.00 2.08 2.07 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 22 M 8.39 4.04 0.00 1.99 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.79 0.00 23 K 7.53 4.71 0.00 1.89 1.82 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.71 7.81 24 T 6.95 4.54 4.24 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 1.25 0.00 0.00 25 K 8.11 3.88 0.00 1.80 1.69 0.00 1.77 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.46 7.81 26 S 8.31 3.99 0.00 4.04 4.05 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 G 8.14 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.59 4.05 0.00 2.03 2.01 0.00 3.18 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.14 0.00 29 N 8.73 3.87 0.00 2.99 2.75 0.00 0.00 7.13 7.73 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 30 I 8.16 3.68 1.88 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 1.52 0.96 0.91 0.00 0.00 31 L 8.08 3.97 0.00 1.80 1.76 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.13 4.00 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 33 R 8.29 3.50 0.00 2.17 1.88 0.00 3.15 0.00 0.00 3.09 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 34 R 9.31 3.78 0.00 1.81 2.02 0.00 3.12 0.00 0.00 3.30 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 35 R 8.76 3.11 0.00 2.08 1.80 0.00 3.19 0.00 0.00 3.18 8.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.98 0.00 36 A 7.99 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.88 3.95 0.00 1.92 1.93 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 38 G 8.56 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 39 R 7.55 4.19 0.00 1.99 1.62 0.00 3.27 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 40 H 8.75 4.25 0.00 3.28 3.44 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.07 4.73 0.00 2.04 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 42 L 9.45 4.65 0.00 1.99 1.64 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.49 3.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 44 V 8.67 3.27 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.68 0.00 0.00 45 S 7.28 4.37 0.00 4.17 4.24 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 46 D 10.06 4.48 0.00 2.86 2.80 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