NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 Q 4.1629 8.3331 119.1203 55.7285 29.7632 174.8181 1 G 3.8659 8.8168 104.6873 45.4301 0.0000 171.0209 2 R 4.8810 8.0707 117.3105 54.0457 34.1181 173.5844 3 Y 4.3605 9.5346 123.3882 57.8167 39.7690 174.5536 4 T 5.2128 7.5670 115.4340 60.2757 72.6047 172.5175 5 T 4.6782 8.2927 111.6189 59.6984 72.0456 174.8049 6 D 4.4732 8.9396 121.5328 56.5477 41.0244 177.0317 7 D 4.7719 8.2726 117.5854 53.0453 39.5658 177.1417 8 G 3.9391 8.2888 106.8142 45.8071 0.0000 173.3534 9 Y 4.1932 7.9712 121.7792 57.1279 40.0186 174.2910 10 I 4.7582 6.9938 125.9552 58.8329 40.2186 175.1314 11 F 4.3548 9.0322 130.0660 58.4740 40.1523 174.0035 12 N 4.4319 8.0959 122.8829 51.1656 41.6313 174.8190 13 A 3.3143 8.0219 128.8316 54.9585 18.5859 178.5832 14 S 2.0000 7.1384 107.2750 58.5642 63.1700 174.5112 15 D 4.4283 7.4418 120.7062 55.4644 41.0323 176.7322 16 I 4.1340 7.1043 121.5379 61.2346 37.2879 175.7916 17 I 4.4603 8.5534 118.4810 60.9349 39.2062 175.2346 18 E 4.6707 7.7698 120.3655 55.0835 32.2261 172.9245 19 D 5.3246 8.6361 124.1143 52.8039 42.8399 175.6692 20 T 4.1433 8.5814 117.1084 62.2196 69.4731 174.1359 21 G 4.1330 8.9674 110.5760 45.3211 0.0000 173.9763 22 D 4.8671 7.8446 115.3640 53.6056 43.0905 175.6387 23 A 4.4287 7.2455 119.0035 50.9044 22.6356 174.7120 24 Y 5.2994 8.3503 116.8513 56.3519 41.5499 174.9205 25 I 5.0988 8.7764 122.9471 59.8757 39.9559 175.2628 26 V 5.1102 8.6563 119.0404 58.8811 35.8211 173.4068 27 P 4.7641 0.0000 0.0000 63.0038 32.9564 175.3932 28 H 4.5855 9.0502 120.3372 56.2422 33.8319 173.2480 29 G 3.5356 8.2018 117.0018 47.2663 0.0000 173.2630 30 D 4.6857 8.7003 124.7139 53.0497 39.6753 175.6319 31 H 4.6322 7.6871 115.4989 55.3797 30.8961 171.2803 32 Y 5.1534 8.3332 114.5960 57.3330 42.1505 174.3685 33 H 5.0675 9.4053 119.1982 54.2839 32.1692 172.4677 34 Y 5.1208 8.7369 122.8792 56.2753 40.3816 174.8145 35 I 4.2030 8.2887 127.5262 58.4847 40.0286 173.3766 36 P 4.2525 0.0000 0.0000 62.0943 32.1291 178.3672 37 K 3.7664 8.5627 122.4594 59.2169 32.0576 178.4447 38 N 4.5948 8.0010 113.5072 53.8419 37.3366 175.0185 39 E 4.5916 8.0679 117.6175 56.2239 30.3254 175.5233 40 L 4.7026 7.3396 119.2662 52.9270 43.5957 177.1524 41 S 4.4514 9.0189 117.6417 57.4630 65.2750 175.3787 42 A 3.9811 8.4596 123.3051 55.6834 17.9534 180.0436 43 S 4.1085 8.0509 112.9589 61.7526 62.8595 176.6800 44 E 4.1369 8.3576 121.2586 59.4916 29.2161 179.4328 45 L 4.0637 8.3082 119.1286 57.6836 41.6168 179.4476 46 A 4.0202 8.3188 120.6434 55.1730 18.3080 179.5823 47 A 3.9715 8.4426 119.3452 55.0702 18.3401 179.6939 48 A 3.9082 8.4118 119.6179 55.3317 18.4198 179.5150 49 E 3.8953 8.3305 117.6009 59.3800 29.5251 178.8110 50 A 3.9969 8.0272 119.8133 55.0436 18.2418 179.1366 51 F 4.2743 8.4473 119.1585 61.6201 39.3284 177.4938 52 L 3.7990 8.0120 117.6423 57.5596 41.4906 179.3385 53 S 4.3352 8.2360 113.6720 60.5309 63.1505 175.0191 54 G 3.7882 7.4388 112.6416 44.7660 0.0000 173.2351 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 0 Q 8.33 4.16 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.54 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 1 G 8.82 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.07 4.88 0.00 1.78 1.87 0.00 3.21 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 3 Y 9.53 4.36 0.00 3.01 2.87 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 0.00 0.00 0.00 0.00 4 T 7.57 5.21 4.13 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 1.17 0.00 0.00 5 T 8.29 4.68 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 1.28 0.00 0.00 6 D 8.94 4.47 0.00 2.71 2.79 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 7 D 8.27 4.77 0.00 2.87 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 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 9 Y 7.97 4.19 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 6.99 4.76 1.64 0.00 0.00 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 1.09 0.62 0.88 0.00 0.00 11 F 9.03 4.35 0.00 3.24 3.21 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 0.00 12 N 8.10 4.43 0.00 2.48 2.55 0.00 0.00 6.78 8.31 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 13 A 8.02 3.31 1.16 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 14 S 7.14 2.00 0.00 3.51 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 4.43 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.10 4.13 1.92 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.37 1.03 0.00 0.00 17 I 8.55 4.46 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.71 1.07 0.00 0.00 18 E 7.77 4.67 0.00 2.02 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 2.33 2.32 0.00 19 D 8.64 5.32 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.58 4.14 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 21 G 8.97 4.13 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 0.00 22 D 7.84 4.87 0.00 2.55 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.25 4.43 0.31 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 24 Y 8.35 5.30 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 5.10 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 1.02 0.00 0.00 26 V 8.66 5.11 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 0.84 0.00 0.00 0.48 0.00 0.00 27 P 0.00 4.76 0.00 1.94 2.02 0.00 3.91 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 28 H 9.05 4.59 0.00 2.98 3.01 0.00 5.75 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.20 3.54 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 0.00 30 D 8.70 4.69 0.00 2.77 2.73 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 31 H 7.69 4.63 0.00 3.24 3.39 0.00 5.22 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.33 5.15 0.00 2.84 2.96 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 33 H 9.41 5.07 0.00 2.89 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 8.74 5.12 0.00 2.94 2.79 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 35 I 8.29 4.20 1.69 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.54 -0.04 0.00 0.00 36 P 0.00 4.25 0.00 2.25 1.91 0.00 3.51 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 37 K 8.56 3.77 0.00 1.67 1.71 0.00 0.91 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.02 0.88 7.81 38 N 8.00 4.59 0.00 2.79 2.89 0.00 0.00 5.90 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 39 E 8.07 4.59 0.00 2.09 2.23 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 2.31 2.27 0.00 40 L 7.34 4.70 0.00 1.65 1.36 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.02 4.45 0.00 4.03 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 42 A 8.46 3.98 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 43 S 8.05 4.11 0.00 3.91 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 44 E 8.36 4.14 0.00 2.17 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 45 L 8.31 4.06 0.00 1.83 1.77 0.91 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.32 4.02 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 47 A 8.44 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.91 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.33 3.90 0.00 2.19 2.16 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 2.34 2.40 0.00 50 A 8.03 4.00 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 51 F 8.45 4.27 0.00 3.11 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 52 L 8.01 3.80 0.00 1.71 1.70 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.24 4.34 0.00 4.01 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 0.00 54 G 7.44 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