NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4601 8.1633 118.3244 55.3159 33.5089 173.5843 2 Q 4.8626 8.2032 118.2179 52.7646 30.9679 173.3836 3 I 4.4881 8.9529 116.7046 59.0701 42.3558 173.5105 4 F 5.3995 8.7261 121.0801 55.7163 42.3167 174.9063 5 V 4.7942 8.9826 122.3185 61.1673 34.1279 173.9680 6 K 5.0122 9.1706 130.6376 55.3387 34.1858 175.9538 7 T 5.0194 8.6931 117.8628 60.1598 71.4157 174.2639 8 L 4.6609 8.3220 118.7432 54.9812 41.7578 177.2304 9 T 4.4495 8.1574 106.7484 61.3633 68.8504 174.3853 10 G 3.8853 8.7492 108.4624 45.9229 0.0000 173.2165 11 K 4.7317 7.8681 118.9228 54.4452 36.0311 174.7163 12 T 5.2271 8.5811 121.8612 61.7171 71.3864 173.2662 13 I 4.7853 8.9768 119.6491 59.2892 41.1481 174.2389 14 T 5.1552 8.4672 112.5573 60.0705 71.0763 173.4902 15 L 4.8532 8.7465 123.2014 53.0326 46.0666 175.2138 16 E 5.0003 8.6769 121.1327 55.0715 30.7818 175.6553 17 V 4.7047 8.7950 117.4453 59.8264 36.4037 174.5006 18 E 4.7473 9.3289 120.7473 53.9036 32.5085 176.0563 19 P 4.1519 0.0000 0.0000 65.5990 31.5574 178.3029 20 S 4.3702 7.8953 110.0884 58.9610 63.6915 174.1217 21 D 4.4397 8.1429 123.7692 54.4906 41.2693 176.3037 22 T 4.6216 8.2450 113.9194 61.3902 71.1505 175.8369 23 I 3.7256 8.4916 123.1551 64.3010 37.0838 178.3305 24 E 3.9014 8.1208 120.2065 59.5054 29.4649 178.5049 25 N 4.2994 8.2024 116.8714 56.6330 38.9559 176.9737 26 V 3.5773 7.7427 119.7340 65.9781 31.6574 178.2507 27 K 4.2604 8.5899 119.4499 58.7169 31.8170 179.2227 28 A 4.0145 7.9810 121.1895 55.1272 18.1600 179.8373 29 K 3.9655 8.1321 117.0079 59.6181 32.0835 179.7024 30 I 3.7384 7.8479 120.2833 64.2051 36.8994 178.1931 31 Q 4.0479 8.1746 120.5084 59.3733 28.6776 177.9657 32 D 4.3433 7.9227 118.7450 57.1303 40.8768 178.5303 33 K 4.2398 7.5884 117.6264 58.2653 32.7253 178.1337 34 E 4.5800 8.7704 115.8707 55.3980 30.9592 177.2864 35 G 3.9230 8.2444 107.0375 45.1259 0.0000 173.4546 36 I 4.0090 7.3860 120.9006 59.6248 37.9107 174.0791 37 P 4.3082 0.0000 0.0000 62.1703 31.9231 175.5413 38 P 4.2856 0.0000 0.0000 65.7734 31.4792 178.2898 39 D 4.4416 8.1374 116.6338 56.8753 41.0132 177.1314 40 Q 4.3481 8.1867 116.7978 56.3979 29.4935 175.2085 41 Q 4.6659 7.8330 118.4989 55.2887 30.3558 175.1858 42 R 4.7522 8.9942 121.7115 54.3425 34.0297 174.4567 43 L 5.2999 8.4828 121.7797 53.0219 45.4223 175.3270 44 I 5.0397 8.7993 122.6758 59.5091 41.2110 174.2669 45 F 5.1535 8.8076 127.7321 56.7844 42.5952 174.5839 46 A 3.3615 9.3272 128.7246 53.0942 15.8443 177.7861 47 G 3.9320 8.5295 106.6354 46.4672 0.0000 174.1548 48 K 4.5795 7.6453 119.4521 54.0194 34.7544 175.2582 49 Q 4.5155 8.5918 124.7259 56.2120 29.7542 174.9318 50 L 4.3589 8.4217 126.2330 53.2653 43.6395 175.9815 51 E 4.3672 9.3895 123.3464 55.6739 30.5507 177.6439 52 D 4.3793 9.1524 124.3266 57.3490 41.1047 178.1653 53 G 3.9209 8.0658 104.8439 45.7722 0.0000 173.2322 54 R 4.5966 7.9892 119.6858 54.6364 32.5863 175.5434 55 T 4.9135 7.8460 109.9571 60.4419 71.9971 175.6396 56 L 4.0107 8.5237 122.4372 58.1833 41.5522 179.8131 57 S 4.0555 8.3563 113.1846 61.4834 62.0523 175.4458 58 D 4.2605 7.7712 119.2273 57.7290 40.9615 177.4599 59 Y 4.4381 7.4548 113.1386 57.0308 38.4788 174.6687 60 N 4.1676 8.1766 117.7754 54.4205 38.0915 174.1001 61 I 3.6247 7.6563 117.4945 60.3154 38.2096 175.7163 62 Q 4.6333 8.3283 123.1099 53.6219 31.5706 174.1950 63 R 4.1024 8.5014 113.6272 58.3719 29.2387 176.0675 64 E 3.6890 9.5401 120.9229 56.9798 27.8718 174.7880 65 S 4.5482 7.9385 115.5085 59.1395 64.2374 173.2134 66 T 5.1244 8.7146 118.9403 62.1486 70.2397 174.1204 67 L 5.0190 9.1784 126.5147 53.6181 45.0067 174.9998 68 H 5.3845 9.2378 117.3603 54.0385 32.2406 172.5390 69 L 5.0854 8.7463 125.0937 53.4383 43.6973 175.7357 70 V 4.5418 8.7998 125.5748 61.1109 34.9845 174.5487 71 L 4.7944 8.5383 126.8044 53.8601 42.7244 176.6712 72 R 4.0729 8.7576 122.7224 56.8367 30.9624 175.8566 73 L 4.6596 8.2868 124.5426 53.2298 44.4936 175.7956 74 R 4.6216 8.5280 125.6370 54.7730 33.0436 174.0768 75 G 4.2336 8.4677 112.8273 43.5893 0.0000 172.4535 76 G 3.7545 8.5052 109.0636 46.3185 0.0000 172.9207 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 8.16 4.46 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 2 Q 8.20 4.86 0.00 1.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 3 I 8.95 4.49 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.09 0.80 0.00 0.00 4 F 8.73 5.40 0.00 3.08 2.92 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 5 V 8.98 4.79 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 1.04 0.00 0.00 0.92 0.00 0.00 6 K 9.17 5.01 0.00 1.82 1.61 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.38 7.81 7 T 8.69 5.02 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 1.23 0.00 0.00 8 L 8.32 4.66 0.00 1.65 1.71 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.16 4.45 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 10 G 8.75 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 11 K 7.87 4.73 0.00 1.80 1.61 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 12 T 8.58 5.23 4.22 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 1.23 0.00 0.00 13 I 8.98 4.79 1.90 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 1.31 1.34 0.99 0.00 0.00 14 T 8.47 5.16 4.23 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 1.51 0.00 0.00 15 L 8.75 4.85 0.00 1.51 1.47 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 5.00 0.00 1.79 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 2.17 2.22 0.00 17 V 8.79 4.70 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 0.62 0.00 0.00 0.84 0.00 0.00 18 E 9.33 4.75 0.00 1.79 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 2.37 0.00 19 P 0.00 4.15 0.00 2.15 2.08 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 2.05 0.00 20 S 7.90 4.37 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 8.14 4.44 0.00 2.81 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 22 T 8.24 4.62 4.44 0.00 0.00 0.00 0.00 0.00 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 8.49 3.73 2.08 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 1.78 0.99 0.90 0.00 0.00 24 E 8.12 3.90 0.00 2.23 1.96 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 2.31 2.33 0.00 25 N 8.20 4.30 0.00 2.81 2.93 0.00 0.00 6.92 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 26 V 7.74 3.58 2.21 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 0.94 0.00 0.00 0.94 0.00 0.00 27 K 8.59 4.26 0.00 1.97 1.89 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.47 7.81 28 A 7.98 4.01 1.37 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 0.00 0.00 29 K 8.13 3.97 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.21 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.85 3.74 2.14 0.00 0.00 0.85 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 0.66 0.96 0.00 0.00 31 Q 8.17 4.05 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 32 D 7.92 4.34 0.00 2.91 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 33 K 7.59 4.24 0.00 1.67 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.60 7.81 34 E 8.77 4.58 0.00 1.95 1.97 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 2.25 2.43 0.00 35 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 36 I 7.39 4.01 1.87 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 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.31 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.29 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 39 D 8.14 4.44 0.00 2.65 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 40 Q 8.19 4.35 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 41 Q 7.83 4.67 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 42 R 8.99 4.75 0.00 1.82 1.77 0.00 3.23 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 1.71 0.00 43 L 8.48 5.30 0.00 1.52 1.49 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.80 5.04 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 1.11 0.82 0.91 0.00 0.00 45 F 8.81 5.15 0.00 2.95 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 46 A 9.33 3.36 0.71 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 47 G 8.53 3.93 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 0.00 0.00 0.00 48 K 7.65 4.58 0.00 1.91 1.71 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.50 7.81 49 Q 8.59 4.52 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 50 L 8.42 4.36 0.00 1.39 1.19 0.73 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.39 4.37 0.00 2.05 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 2.45 2.56 0.00 52 D 9.15 4.38 0.00 2.72 2.75 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 53 G 8.07 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 54 R 7.99 4.60 0.00 2.18 1.77 0.00 2.99 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 55 T 7.85 4.91 4.47 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 1.25 0.00 0.00 56 L 8.52 4.01 0.00 1.84 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.36 4.06 0.00 4.00 3.84 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 58 D 7.77 4.26 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.45 4.44 0.00 3.07 3.06 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 60 N 8.18 4.17 0.00 2.88 2.99 0.00 0.00 7.14 8.66 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 61 I 7.66 3.62 1.73 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.12 0.53 0.00 0.00 62 Q 8.33 4.63 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 63 R 8.50 4.10 0.00 1.91 1.98 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 64 E 9.54 3.69 0.00 2.21 2.45 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 2.24 2.31 0.00 65 S 7.94 4.55 0.00 3.74 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 66 T 8.71 5.12 4.35 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 1.18 0.00 0.00 67 L 9.18 5.02 0.00 1.58 1.58 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.24 5.38 0.00 3.03 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.75 5.09 0.00 1.62 1.56 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.80 4.54 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 0.94 0.00 0.00 71 L 8.54 4.79 0.00 1.57 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.76 4.07 0.00 1.87 2.01 0.00 3.42 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 73 L 8.29 4.66 0.00 1.56 1.49 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.53 4.62 0.00 1.75 1.73 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 75 G 8.47 4.23 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 0.00 0.00 0.00 76 G 8.51 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