NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5628 8.1476 118.3245 55.3489 33.6085 173.4673 2 Q 4.8605 8.2233 117.2732 52.7583 31.3450 172.9074 3 I 4.5187 8.9828 115.6019 59.1510 42.2378 174.9489 4 F 5.3948 8.5488 120.1296 55.6588 42.7484 174.7696 5 V 4.8251 8.7424 120.4712 61.0553 34.6999 174.1960 6 K 4.7430 9.0802 130.3129 55.8319 33.5295 176.3517 7 T 4.6674 8.9594 120.4548 60.5432 71.2986 175.0367 8 L 4.0472 8.5088 120.1071 58.0254 41.7233 178.0620 9 T 4.1905 7.8092 106.2031 61.6277 69.4173 175.4569 10 G 3.9828 7.8697 110.6681 44.5984 0.0000 173.8835 11 K 4.1007 7.7370 121.9114 57.0628 33.4209 175.4173 12 T 5.2245 8.4342 122.2160 61.8240 70.7096 173.6224 13 I 4.7437 8.7152 118.3833 59.4034 41.4908 174.1271 14 T 5.0644 8.5038 118.5807 61.7975 71.0516 173.6253 15 L 4.7415 8.9137 126.0887 52.7870 45.1165 174.9846 16 E 4.8271 8.6264 123.7907 55.3001 30.5926 175.2889 17 V 4.7331 8.8624 119.5918 60.0936 36.5287 174.0700 18 E 4.7330 8.9607 119.6643 53.9696 32.6519 176.0936 19 P 4.1349 0.0000 0.0000 65.6600 31.5346 178.0838 20 S 4.5422 7.8577 109.6418 58.4557 63.7423 173.9245 21 D 4.5365 8.1274 123.3434 54.3790 41.4623 175.9865 22 T 4.6509 8.2071 113.5429 61.3367 71.3308 175.8649 23 I 3.7165 8.6821 124.3807 64.8395 37.0833 178.7673 24 E 3.9791 8.1165 118.8700 59.4082 29.4261 178.7237 25 N 4.2914 8.2658 116.5600 56.3692 38.6050 177.5330 26 V 3.5501 7.7318 119.4461 66.0778 31.5615 178.3018 27 K 4.2076 8.4873 119.2328 58.7190 31.7321 179.2176 28 A 3.9924 8.1866 121.3370 55.1210 18.2977 179.8667 29 K 3.9235 7.9532 116.9544 59.5611 32.0743 179.6893 30 I 3.7085 7.9090 120.2074 64.3301 36.9186 178.2419 31 Q 4.0178 8.4451 120.7763 59.2161 28.6673 177.7510 32 D 4.3860 8.0132 118.9498 57.6386 40.9914 178.9987 33 K 4.1740 7.8465 117.2342 58.7260 32.2817 178.4074 34 E 4.6671 8.6493 115.5847 54.7341 31.2542 177.0136 35 G 3.8989 8.0766 106.6101 46.0688 0.0000 173.3009 36 I 4.1656 7.5337 119.9142 59.1859 38.3176 174.2516 37 P 4.4299 0.0000 0.0000 61.7846 32.0287 175.6962 38 P 4.2796 0.0000 0.0000 65.6481 31.4500 178.4559 39 D 4.4262 8.0890 116.2229 55.7097 39.7147 177.1236 40 Q 4.2704 8.0816 118.7689 57.4308 29.3211 175.7430 41 Q 4.3584 7.6805 117.9021 55.7502 30.1254 175.5932 42 R 4.7789 9.1242 122.0498 54.3003 34.0012 174.3902 43 L 5.2066 8.4892 122.3562 52.9595 45.1196 175.2579 44 I 5.0452 8.5961 123.9375 59.5366 40.6252 174.5414 45 F 5.0446 9.2594 127.8876 57.4523 43.2061 174.0286 46 A 3.4387 8.8709 128.4396 53.0789 15.9325 177.9314 47 G 3.9166 8.2398 106.0742 46.8895 0.0000 174.3343 48 K 4.5219 7.8376 119.9370 54.5929 33.8478 175.0979 49 Q 4.6488 8.4609 124.4040 55.2580 29.7347 175.3195 50 L 3.5944 8.6754 128.0032 54.7265 42.4572 176.3116 51 E 4.7660 9.1463 123.1495 54.1791 32.1875 175.4913 52 D 4.6168 8.7789 123.0569 56.5944 41.3260 177.1201 53 G 3.9939 10.9149 112.1989 45.2480 0.0000 173.8427 54 R 4.4485 7.8466 118.8720 55.1826 31.9246 175.2229 55 T 5.0335 8.2157 109.0613 59.5216 71.4346 175.4367 56 L 4.0836 8.6101 122.4043 58.1521 41.9485 180.4347 57 S 4.2458 8.4404 113.0447 60.9686 63.1663 176.1738 58 D 4.2480 7.7916 120.2410 56.8760 40.5208 176.5828 59 Y 4.5024 7.7323 114.5802 56.9836 38.0875 174.9896 60 N 4.2094 7.8685 116.1763 54.2130 36.7483 174.6714 61 I 3.5339 7.7983 118.1948 60.7590 38.0162 176.0268 62 Q 4.4497 8.2709 126.6600 53.5009 30.8820 174.3348 63 K 4.0795 8.3651 121.4108 58.1272 32.3237 176.0368 64 E 3.8500 9.1780 123.6361 57.1093 28.0038 174.8811 65 S 4.5696 7.9227 115.5576 59.1007 64.2891 173.1884 66 T 5.1910 8.6522 118.2971 62.0166 70.5529 173.8285 67 L 4.8273 8.9783 126.8958 53.9495 44.3175 175.3769 68 H 5.0311 8.9108 119.5190 54.0379 31.0516 173.0021 69 L 5.0112 8.4881 126.6670 54.1896 42.9359 176.1428 70 V 4.5720 8.8073 118.1899 59.8428 36.3277 174.5947 71 L 5.2007 8.2778 121.6164 53.8004 42.1931 176.2997 72 R 4.6499 8.3812 122.2138 55.4887 33.6989 175.2608 73 L 4.5627 8.1610 121.6613 52.7164 41.5495 176.2186 74 R 4.1250 8.2168 121.9537 56.1517 30.8794 176.5318 75 G 4.1033 7.6647 108.0124 45.1760 0.0000 173.6147 76 G 3.7539 8.4281 108.2155 46.2616 0.0000 173.5356 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 8.15 4.56 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 2 Q 8.22 4.86 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 3 I 8.98 4.52 1.80 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 1.06 0.77 0.78 0.00 0.00 4 F 8.55 5.39 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.74 4.83 2.10 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 1.00 0.00 0.00 0.92 0.00 0.00 6 K 9.08 4.74 0.00 1.88 1.66 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.45 7.81 7 T 8.96 4.67 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 1.26 0.00 0.00 8 L 8.51 4.05 0.00 1.66 1.78 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.81 4.19 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 10 G 7.87 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.74 4.10 0.00 1.81 1.70 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 12 T 8.43 5.22 4.19 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 0.00 0.00 0.00 1.23 0.00 0.00 13 I 8.72 4.74 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.96 0.00 0.00 14 T 8.50 5.06 4.31 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 1.18 0.00 0.00 15 L 8.91 4.74 0.00 1.40 1.46 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.83 0.00 1.90 1.81 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 2.20 2.34 0.00 17 V 8.86 4.73 2.02 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 0.67 0.00 0.00 0.83 0.00 0.00 18 E 8.96 4.73 0.00 2.00 1.77 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 2.18 2.22 0.00 19 P 0.00 4.13 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 20 S 7.86 4.54 0.00 3.96 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 21 D 8.13 4.54 0.00 2.88 2.60 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 22 T 8.21 4.65 4.60 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 1.22 0.00 0.00 23 I 8.68 3.72 2.01 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 1.86 1.17 0.89 0.00 0.00 24 E 8.12 3.98 0.00 2.05 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 2.41 2.47 0.00 25 N 8.27 4.29 0.00 2.96 2.86 0.00 0.00 6.68 7.26 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 26 V 7.73 3.55 2.20 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 0.98 0.00 0.00 0.97 0.00 0.00 27 K 8.49 4.21 0.00 1.98 1.84 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.70 1.39 7.81 28 A 8.19 3.99 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 29 K 7.95 3.92 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.91 3.71 2.13 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 1.40 0.90 0.95 0.00 0.00 31 Q 8.45 4.02 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 32 D 8.01 4.39 0.00 2.91 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 33 K 7.85 4.17 0.00 1.89 1.87 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.47 1.61 7.81 34 E 8.65 4.67 0.00 1.94 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 35 G 8.08 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 36 I 7.53 4.17 1.87 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 1.42 0.60 0.91 0.00 0.00 37 P 0.00 4.43 0.00 2.38 1.96 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.28 0.00 2.17 2.10 0.00 3.60 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 39 D 8.09 4.43 0.00 2.78 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 40 Q 8.08 4.27 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 41 Q 7.68 4.36 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 42 R 9.12 4.78 0.00 1.80 1.77 0.00 3.30 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 43 L 8.49 5.21 0.00 1.49 1.49 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.60 5.05 1.92 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 1.26 1.34 0.91 0.00 0.00 45 F 9.26 5.04 0.00 3.06 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 46 A 8.87 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.24 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 48 K 7.84 4.52 0.00 2.08 1.88 0.00 1.88 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.43 7.81 49 Q 8.46 4.65 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 50 L 8.68 3.59 0.00 1.34 1.21 0.68 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.15 4.77 0.00 2.03 1.89 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 2.29 2.53 0.00 52 D 8.78 4.62 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.91 3.99 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 0.00 0.00 0.00 54 R 7.85 4.45 0.00 2.19 2.00 0.00 3.26 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 55 T 8.22 5.03 4.48 0.00 0.00 0.00 0.00 0.00 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 56 L 8.61 4.08 0.00 1.92 1.74 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.44 4.25 0.00 3.98 4.11 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 58 D 7.79 4.25 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.50 0.00 3.14 3.15 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 60 N 7.87 4.21 0.00 3.03 2.98 0.00 0.00 6.93 7.14 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 61 I 7.80 3.53 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.12 0.23 0.55 0.00 0.00 62 Q 8.27 4.45 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 63 K 8.37 4.08 0.00 1.72 1.71 0.00 1.96 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 64 E 9.18 3.85 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.29 0.00 65 S 7.92 4.57 0.00 3.73 3.63 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 66 T 8.65 5.19 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 1.17 0.00 0.00 67 L 8.98 4.83 0.00 1.55 1.57 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.91 5.03 0.00 3.11 3.24 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.49 5.01 0.00 1.66 1.75 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.81 4.57 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 0.73 0.00 0.00 0.94 0.00 0.00 71 L 8.28 5.20 0.00 1.61 1.47 0.92 1.02 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 72 R 8.38 4.65 0.00 1.74 1.77 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 73 L 8.16 4.56 0.00 1.60 1.61 0.92 0.93 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 74 R 8.22 4.13 0.00 1.80 1.86 0.00 3.25 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 75 G 7.66 4.10 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 0.00 76 G 8.43 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00