NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 N 4.6940 8.4093 118.2243 52.9168 38.1185 173.1230 7 S 4.3347 8.5188 113.7005 57.3512 64.4488 171.9064 8 D 4.8222 8.3376 120.3187 54.5321 42.7634 176.6800 9 F 5.3294 7.8713 113.9729 55.5483 41.5306 173.9572 10 V 4.6045 8.8223 112.5030 59.6038 35.3172 174.7812 11 V 4.7970 8.5161 124.0582 61.4591 33.7157 174.5741 12 I 5.0130 8.7711 127.9487 59.5633 40.7986 174.0449 13 K 4.9216 9.1120 129.6079 54.3600 34.1793 175.1716 14 A 4.4313 8.6507 130.2647 52.3455 18.9374 177.4133 15 L 4.6125 8.9957 122.9930 55.1284 42.5505 176.0114 16 E 4.6181 7.6136 115.7504 55.1765 32.3048 174.1259 17 D 4.4915 8.4460 118.6125 55.2001 41.4004 176.4362 18 G 3.8989 8.4249 107.8430 46.4889 0.0000 174.2411 19 V 3.9646 7.7272 119.7397 62.6257 33.0396 174.5036 20 N 5.2654 9.3147 124.7364 51.5361 41.4930 173.6078 21 V 4.4588 8.8480 125.1516 61.4625 33.3508 174.1911 22 I 4.8236 8.9653 130.1705 59.4456 39.6725 175.1947 23 G 4.0435 8.5900 114.6618 45.2724 0.0000 172.5378 24 L 5.1902 8.9011 125.4931 52.8662 44.2619 176.1720 25 T 4.5636 8.6151 114.0739 61.7703 69.1896 174.3495 26 R 4.4175 8.0510 126.8292 56.7770 30.3534 174.8015 27 G 3.7125 8.7132 108.6943 44.0820 0.0000 174.0294 28 A 4.1565 8.5993 121.0444 54.0775 18.7086 177.6447 29 D 4.9019 7.2716 112.0964 52.8833 42.7327 176.1783 30 T 4.5466 8.3987 119.5639 61.9225 69.8995 173.5715 31 R 5.0003 8.5305 122.2976 54.5406 33.8505 174.0690 32 F 4.7951 9.3409 119.0161 57.7300 38.8487 175.2803 33 H 4.9188 8.7317 119.5455 56.7104 30.4552 174.6886 34 H 4.8812 7.7004 117.4207 54.7347 33.5026 172.2006 35 S 4.8727 8.1860 118.6876 56.5957 64.9276 172.4112 36 E 4.5083 8.9237 129.6078 54.7480 30.8189 174.9870 37 K 4.8513 8.6407 126.8148 55.8181 33.6700 176.2294 38 L 4.9843 9.2359 124.3263 53.1608 44.9601 176.2043 39 D 4.9232 8.8351 123.2931 52.4187 43.3701 175.8618 40 K 4.1406 8.7883 121.7917 58.7102 32.1483 177.0094 41 G 4.0110 9.2484 116.0134 44.9851 0.0000 173.3486 42 E 4.2130 8.2296 119.8971 56.3830 30.7165 176.0256 43 V 4.8587 8.3031 122.0826 61.0123 34.3021 174.2854 44 L 4.7911 8.9292 129.0160 53.2368 45.1458 174.9795 45 I 4.9424 8.4636 125.8727 59.6164 39.3439 174.6143 46 A 4.7252 8.9544 129.0976 50.1278 21.9667 175.1545 47 Q 4.9054 8.5531 120.4306 54.4574 31.0064 175.5083 48 F 4.7257 8.5527 120.4208 57.8834 39.8580 175.2487 49 T 4.7132 8.6936 111.5813 60.0662 71.9628 173.1798 50 E 4.0133 8.9228 121.3119 59.4048 29.6506 177.3183 51 H 4.4392 8.2075 114.5148 56.6482 29.8617 174.1006 52 T 5.5396 8.2912 116.6069 61.2982 70.2407 174.8252 53 S 4.9224 8.8332 120.2271 58.0002 64.9543 173.3037 54 A 5.1302 7.8391 121.3959 51.1562 22.4955 175.2000 55 I 4.9649 8.5846 120.9175 59.2773 40.6952 174.8322 56 K 4.5824 8.9152 127.3764 54.4752 35.1332 174.6066 57 V 4.8442 8.4465 126.4783 61.2151 33.6262 174.5571 58 R 4.5910 9.0205 126.9511 55.5470 32.9858 175.9005 59 G 3.9574 8.9838 108.6772 43.9230 0.0000 172.7567 60 K 4.4850 9.1293 120.0956 56.2951 32.8048 175.5735 61 A 5.1739 8.7911 128.4248 50.5558 23.4393 173.6298 62 Y 4.7344 9.1095 121.7552 56.2383 40.6345 174.5064 63 I 5.0549 8.2148 127.3472 59.5546 40.8570 174.3917 64 Q 5.0747 8.9199 125.5204 54.3916 31.6021 174.9155 65 T 4.6442 8.5585 112.8297 59.4829 72.4695 174.5135 66 R 3.6862 8.5730 120.6712 59.6795 29.7958 176.5087 67 H 4.5763 7.7829 112.4602 55.2871 29.3651 173.5194 68 G 3.7257 7.5039 106.1419 44.0867 0.0000 173.2226 69 V 4.5930 8.0078 111.9706 60.2006 33.4241 175.6748 70 I 4.7273 8.4427 122.8100 59.1959 41.9627 173.3875 71 E 5.1401 8.5947 124.9735 54.4381 31.9166 175.6385 72 S 4.6266 8.6590 118.5137 57.9650 65.0706 172.9075 73 E 4.9000 8.5061 119.9883 54.6783 33.1916 176.1084 74 G 3.9182 8.6636 112.8281 44.4341 0.0000 173.7247 75 K 4.1478 8.3939 117.4038 57.0183 32.9218 176.7757 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 6 N 8.41 4.69 0.00 2.88 2.88 0.00 0.00 6.10 6.76 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 7 S 8.52 4.33 0.00 4.20 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.82 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 9 F 7.87 5.33 0.00 3.02 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 10 V 8.82 4.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.86 0.00 0.00 11 V 8.52 4.80 2.26 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 1.08 0.00 0.00 1.17 0.00 0.00 12 I 8.77 5.01 1.88 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 1.11 0.65 0.93 0.00 0.00 13 K 9.11 4.92 0.00 1.87 1.77 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.39 7.81 14 A 8.65 4.43 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 15 L 9.00 4.61 0.00 1.70 1.74 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.61 4.62 0.00 2.03 1.92 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 2.19 2.34 0.00 17 D 8.45 4.49 0.00 2.70 2.64 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 18 G 8.42 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.73 3.96 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 1.00 0.00 0.00 1.04 0.00 0.00 20 N 9.31 5.27 0.00 2.64 2.72 0.00 0.00 6.41 7.27 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 21 V 8.85 4.46 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 0.93 0.00 0.00 0.93 0.00 0.00 22 I 8.97 4.82 1.65 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.63 0.00 0.00 23 G 8.59 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.90 5.19 0.00 1.68 1.54 0.58 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.62 4.56 4.29 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 1.38 0.00 0.00 26 R 8.05 4.42 0.00 1.85 1.96 0.00 3.12 0.00 0.00 3.06 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 0.00 27 G 8.71 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 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 29 D 7.27 4.90 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.40 4.55 4.29 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 1.25 0.00 0.00 31 R 8.53 5.00 0.00 1.98 2.07 0.00 2.86 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 32 F 9.34 4.80 0.00 2.85 3.08 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 33 H 8.73 4.92 0.00 3.19 3.49 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.70 4.88 0.00 3.29 3.08 0.00 5.80 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 35 S 8.19 4.87 0.00 3.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.92 4.51 0.00 2.25 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 2.26 2.34 0.00 37 K 8.64 4.85 0.00 1.68 1.72 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.56 1.69 7.81 38 L 9.24 4.98 0.00 1.53 1.53 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.84 4.92 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.14 0.00 1.61 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.41 7.81 41 G 9.25 4.01 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 0.00 0.00 0.00 42 E 8.23 4.21 0.00 2.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 43 V 8.30 4.86 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 0.80 0.00 0.00 0.94 0.00 0.00 44 L 8.93 4.79 0.00 1.76 1.45 0.91 1.19 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 45 I 8.46 4.94 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.62 0.00 0.00 46 A 8.95 4.73 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 47 Q 8.55 4.91 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 48 F 8.55 4.73 0.00 3.03 2.97 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 0.00 0.00 0.00 49 T 8.69 4.71 4.30 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 1.29 0.00 0.00 50 E 8.92 4.01 0.00 1.94 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 2.09 2.28 0.00 51 H 8.21 4.44 0.00 3.26 3.22 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.29 5.54 4.34 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 1.29 0.00 0.00 53 S 8.83 4.92 0.00 3.80 4.06 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 54 A 7.84 5.13 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 55 I 8.58 4.96 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.68 0.84 0.00 0.00 56 K 8.92 4.58 0.00 1.71 1.43 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.33 7.81 57 V 8.45 4.84 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 0.88 0.00 0.00 0.92 0.00 0.00 58 R 9.02 4.59 0.00 1.81 1.81 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 59 G 8.98 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 0.00 0.00 0.00 60 K 9.13 4.49 0.00 1.98 1.75 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 61 A 8.79 5.17 1.26 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 62 Y 9.11 4.73 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.21 5.05 1.94 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 1.21 0.61 0.86 0.00 0.00 64 Q 8.92 5.07 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 65 T 8.56 4.64 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 66 R 8.57 3.69 0.00 1.59 1.79 0.00 3.18 0.00 0.00 3.13 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 67 H 7.78 4.58 0.00 3.18 3.27 0.00 5.69 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 68 G 7.50 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 0.00 0.00 0.00 69 V 8.01 4.59 1.60 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 0.68 0.00 0.00 0.79 0.00 0.00 70 I 8.44 4.73 1.81 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 1.25 1.53 0.84 0.00 0.00 71 E 8.59 5.14 0.00 1.98 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 2.06 2.24 0.00 72 S 8.66 4.63 0.00 4.01 4.02 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 0.00 0.00 0.00 73 E 8.51 4.90 0.00 1.82 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 74 G 8.66 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 0.00 0.00 0.00 0.00 75 K 8.39 4.15 0.00 1.88 1.81 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.38 7.81