NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2632 8.1593 112.9282 60.7361 69.4763 172.8423 2 W 4.4149 7.8682 123.4394 56.6179 29.5232 176.0506 3 L 4.4053 5.7276 121.0169 51.9068 41.7792 174.7496 4 P 4.2519 0.0000 0.0000 64.9316 31.8681 177.3096 5 T 4.5572 7.3144 105.7325 60.2616 71.3691 172.9367 6 L 4.4677 8.0895 119.9301 54.6171 42.8093 177.4568 7 V 3.6763 7.5680 119.4589 62.9489 31.9458 175.0941 8 T 4.7801 8.4034 122.6446 61.5414 72.0409 173.7235 9 A 4.3126 8.9517 130.1096 54.7750 18.9657 177.8652 10 T 4.5766 7.5716 104.3226 58.5032 72.0145 172.7795 11 P 2.0000 0.0000 0.0000 65.0118 31.2305 178.4439 12 Q 3.8197 7.1106 117.8781 59.4732 28.9673 178.6389 13 E 4.2071 8.0203 118.9953 59.0291 29.3298 179.7199 14 G 4.0313 7.9691 106.2368 47.8548 0.0000 175.6412 15 F 3.9874 8.3991 122.8154 61.1459 39.4361 176.8399 16 D 4.4175 8.2872 118.1698 57.1455 40.5562 178.4855 17 L 4.0671 8.1513 120.9212 57.8732 41.9447 178.9001 18 A 4.0118 8.4276 121.4763 55.0960 18.3107 179.7850 19 V 3.4435 7.9129 117.1502 65.6964 31.5196 178.2432 20 K 3.8892 7.9795 119.4359 59.6658 32.3155 178.7746 21 L 4.0353 8.2802 119.5529 57.9688 40.9563 179.9348 22 S 4.2548 7.7829 114.9857 61.6243 62.7588 176.7997 23 R 3.7746 7.8626 120.4631 58.6802 29.8388 179.0436 24 I 3.5467 7.7016 113.1605 63.6342 37.4023 178.0193 25 A 3.9218 7.5260 121.3008 54.9141 18.1509 179.8702 26 V 3.4265 7.1367 116.2512 66.1317 31.3594 178.2365 27 K 3.8682 8.2622 119.6623 59.3815 31.6450 178.8405 28 K 3.9443 7.8452 118.5069 59.1120 32.1330 178.7698 29 T 4.3205 7.4801 108.1222 62.3962 70.4537 175.2468 30 Q 4.4938 7.7475 122.3421 54.0045 29.3179 172.2543 31 P 4.4038 0.0000 0.0000 63.6530 32.5273 177.5343 32 D 4.3660 7.9757 118.5824 54.2628 40.8700 176.1237 33 A 4.0985 8.4474 129.8183 54.4451 18.3347 178.6904 34 Q 3.8962 8.4547 118.8932 59.4059 29.2324 178.4941 35 V 3.7374 7.8931 112.6424 63.9587 31.6087 178.5982 36 R 4.0104 7.9161 117.7838 59.0813 29.9155 178.7772 37 D 4.3828 7.9624 118.9474 57.6919 40.6136 178.8914 38 T 3.9474 7.7319 116.3567 66.4557 68.3278 176.6162 39 L 4.2825 8.0177 120.7906 57.0141 41.7581 179.2274 40 R 4.0806 7.9477 118.7530 59.6215 29.8680 178.2501 41 A 4.4886 7.5563 119.8257 54.3910 18.0591 179.6506 42 V 3.7275 7.2441 117.0462 66.2938 31.8628 177.8169 43 Y 4.0449 8.3590 117.2483 59.1269 38.2318 177.0066 44 E 3.6427 7.6931 119.6280 57.6319 29.2462 177.9548 45 K 4.4604 7.1461 117.3027 55.8904 33.3719 175.5375 46 D 4.7572 7.9571 119.5889 52.7462 42.4355 175.9239 47 A 3.9849 8.6794 129.4174 55.9616 18.3178 178.7759 48 N 4.2641 8.2950 113.4776 56.3136 38.6433 177.4620 49 A 4.0314 8.6625 122.5285 55.2192 18.3801 179.7236 50 L 4.1564 8.0602 117.5169 57.6823 41.6628 179.8472 51 I 3.7211 8.1422 119.9973 64.4043 36.8919 178.2442 52 A 4.0566 8.2312 121.6285 54.9818 18.0519 180.0159 53 V 3.5287 7.7882 116.9146 66.4070 31.7709 178.0220 54 S 4.1575 7.9323 112.5792 61.5673 62.0298 176.1567 55 A 4.0286 7.9707 123.4211 54.9786 18.1232 179.7783 56 V 3.4800 7.4627 116.8111 66.2320 31.7624 178.7150 57 V 3.6505 7.8860 118.5673 64.4897 31.0660 178.1799 58 A 4.0808 8.0058 121.6294 55.4361 18.1708 179.4803 59 T 3.8488 7.8244 114.1701 67.2576 68.5258 176.4865 60 H 4.2075 8.2039 117.7904 59.0042 28.8189 177.6412 61 F 4.3068 8.8053 122.6908 61.3661 38.9182 176.9863 62 Q 3.9921 8.0543 119.0024 59.3497 28.9660 178.2425 63 T 3.8165 7.6029 117.0331 66.5615 68.6630 176.5617 64 I 3.7171 8.0097 120.1340 63.1889 37.9986 177.7845 65 A 3.0405 7.6563 121.8035 54.7733 18.1824 179.4467 66 A 2.9442 7.1998 118.9675 54.7821 18.1185 179.6535 67 A 3.7825 7.1769 118.2247 54.7107 18.5823 178.5497 68 N 4.2220 6.9565 112.7309 51.5761 38.6247 174.7902 69 D 4.1374 8.0530 118.2611 55.5577 40.2329 172.8870 70 Y 3.5722 7.6776 109.5080 58.4950 36.2867 170.7875 71 W 3.9820 7.4770 124.9064 57.4363 29.9549 174.4405 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 T 8.16 4.26 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 1.21 0.00 0.00 2 W 7.87 4.41 0.00 3.64 3.25 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 3 L 5.73 4.41 0.00 0.27 0.45 0.98 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.25 0.00 2.16 2.10 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 5 T 7.31 4.56 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 1.16 0.00 0.00 6 L 8.09 4.47 0.00 1.56 1.67 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.57 3.68 2.06 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 0.77 0.00 0.00 0.86 0.00 0.00 8 T 8.40 4.78 4.83 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 1.67 0.00 0.00 9 A 8.95 4.31 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 10 T 7.57 4.58 4.09 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 1.20 0.00 0.00 11 P 0.00 2.00 0.00 1.78 1.65 0.00 3.26 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 12 Q 7.11 3.82 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 13 E 8.02 4.21 0.00 2.34 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 0.00 2.36 2.34 0.00 14 G 7.97 4.03 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 0.00 0.00 0.00 15 F 8.40 3.99 0.00 2.79 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 16 D 8.29 4.42 0.00 2.84 2.76 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 0.00 0.00 0.00 17 L 8.15 4.07 0.00 1.98 1.99 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.43 4.01 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 19 V 7.91 3.44 2.06 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 0.99 0.00 0.00 0.89 0.00 0.00 20 K 7.98 3.89 0.00 2.00 2.05 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.51 7.81 21 L 8.28 4.04 0.00 1.59 1.31 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.78 4.25 0.00 3.96 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 23 R 7.86 3.77 0.00 1.91 1.93 0.00 3.14 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 24 I 7.70 3.55 1.31 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.45 0.88 0.00 0.00 25 A 7.53 3.92 1.40 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 26 V 7.14 3.43 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 27 K 8.26 3.87 0.00 1.82 1.63 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.41 7.81 28 K 7.85 3.94 0.00 1.81 1.78 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.30 1.35 7.81 29 T 7.48 4.32 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 1.21 0.00 0.00 30 Q 7.75 4.49 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 31 P 0.00 4.40 0.00 2.19 2.12 0.00 3.40 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.88 0.00 32 D 7.98 4.37 0.00 2.70 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 33 A 8.45 4.10 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 34 Q 8.45 3.90 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 35 V 7.89 3.74 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 0.89 0.00 0.00 0.98 0.00 0.00 36 R 7.92 4.01 0.00 2.04 1.99 0.00 3.09 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.90 0.00 37 D 7.96 4.38 0.00 2.83 2.72 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 38 T 7.73 3.95 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 1.22 0.00 0.00 39 L 8.02 4.28 0.00 1.80 1.79 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.95 4.08 0.00 2.11 2.19 0.00 2.67 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 41 A 7.56 4.49 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 42 V 7.24 3.73 2.33 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 1.09 0.00 0.00 1.02 0.00 0.00 43 Y 8.36 4.04 0.00 3.23 3.20 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 0.00 44 E 7.69 3.64 0.00 1.84 1.91 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 2.12 2.16 0.00 45 K 7.15 4.46 0.00 1.77 1.81 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.30 7.81 46 D 7.96 4.76 0.00 2.77 2.76 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 0.00 0.00 0.00 47 A 8.68 3.98 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 48 N 8.29 4.26 0.00 2.93 2.90 0.00 0.00 6.87 7.12 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 49 A 8.66 4.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.16 0.00 2.02 1.77 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.14 3.72 2.02 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 1.48 0.76 0.94 0.00 0.00 52 A 8.23 4.06 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 53 V 7.79 3.53 2.35 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 1.04 0.00 0.00 1.03 0.00 0.00 54 S 7.93 4.16 0.00 3.94 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 55 A 7.97 4.03 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 56 V 7.46 3.48 2.22 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 1.08 0.00 0.00 1.01 0.00 0.00 57 V 7.89 3.65 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.40 0.00 0.00 58 A 8.01 4.08 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.82 3.85 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 1.17 0.00 0.00 60 H 8.20 4.21 0.00 3.21 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.81 4.31 0.00 3.13 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 62 Q 8.05 3.99 0.00 2.45 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 63 T 7.60 3.82 4.36 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 1.18 0.00 0.00 64 I 8.01 3.72 1.89 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.38 1.08 0.00 0.00 65 A 7.66 3.04 1.14 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 0.00 0.00 0.00 0.00 0.00 66 A 7.20 2.94 1.10 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 67 A 7.18 3.78 1.20 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 0.00 0.00 0.00 68 N 6.96 4.22 0.00 1.44 1.50 0.00 0.00 6.76 7.43 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 69 D 8.05 4.14 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.68 3.57 0.00 3.16 3.10 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 71 W 7.48 3.98 0.00 3.64 3.07 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 0.00 0.00 0.00 0.00