NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 V 3.9131 8.0549 120.3867 62.4906 32.6869 176.2272 23 D 4.2213 8.2502 125.7208 52.8731 40.2576 175.4889 24 A 3.7071 9.0179 128.3588 55.2299 18.7158 178.5735 25 E 2.6841 7.0650 115.6247 58.9884 29.3311 179.2268 26 A 3.8557 7.5493 118.8639 55.0830 18.6867 179.2045 27 V 3.5801 7.7959 116.9701 66.2069 31.5638 178.0966 28 V 3.5579 7.7723 118.0730 66.4244 31.1345 177.9568 29 Q 4.1381 8.2197 116.1210 58.0837 28.8813 176.8536 30 Q 4.7226 8.0731 119.0343 54.6715 30.0514 175.0002 31 K 4.6832 8.0802 117.2924 56.7389 40.3500 177.7372 32 C 4.4471 8.4569 116.7336 62.2793 28.5248 176.1994 33 I 3.8691 7.8755 113.9604 63.9760 36.6760 177.8864 34 S 4.0811 7.9754 115.9356 61.4038 62.8221 175.3411 35 C 4.6874 7.9166 116.9085 61.1522 30.1877 175.2844 36 H 4.4717 8.5436 116.0965 55.3895 28.6209 175.7873 37 G 4.4035 7.9764 108.6580 45.2531 0.0000 174.8522 38 G 3.9129 8.5637 109.7670 48.2325 0.0000 174.0396 39 D 4.7023 8.0577 116.5575 53.3139 41.7976 177.3013 40 L 3.9362 8.3920 119.3736 55.4952 39.7101 176.0337 41 T 3.9869 7.4329 108.7495 62.4055 69.2668 175.9815 42 G 4.0130 9.5868 107.8115 46.2752 0.0000 170.8939 43 A 4.4161 7.8052 125.1063 51.9500 26.3000 177.0782 44 S 4.5280 8.1151 114.2598 57.6214 64.1718 174.1978 45 A 4.6381 7.3495 122.8650 49.5656 21.9425 173.9802 46 P 4.7269 0.0000 0.0000 62.0984 32.1345 175.9756 47 A 4.3844 8.4364 122.5712 52.2048 18.7362 177.5213 48 I 4.3375 8.2136 115.1448 60.2677 38.7754 176.8506 49 D 4.3470 8.0993 122.2633 56.9731 41.1946 177.8933 50 K 4.7623 7.9347 116.5849 54.7655 33.4298 177.8667 51 A 4.0514 8.4432 124.5535 56.6553 18.0560 180.0085 52 G 3.9295 8.3671 103.3544 46.4838 0.0000 175.1165 53 A 4.1109 7.6669 121.9919 54.4674 18.4695 178.9939 54 N 4.1781 7.5533 113.7507 54.4849 39.1740 175.2020 55 Y 4.9836 7.6920 116.8221 55.4968 42.1150 175.3612 56 S 4.4788 8.5451 119.3288 57.3858 65.4055 175.1985 57 E 3.9780 8.7717 121.5465 60.1333 28.7991 179.0501 58 E 3.9345 8.2875 118.9367 59.3049 29.4783 179.2868 59 E 3.9437 8.1115 117.6833 59.3920 29.6220 179.2600 60 I 3.6779 8.1405 120.2673 64.1819 37.1626 178.1356 61 L 3.9139 8.4553 121.4195 58.1947 41.8599 178.1731 62 D 4.3153 8.3395 118.2642 57.6435 40.9609 178.3711 63 I 3.7625 7.8807 120.0669 64.5650 37.0727 178.2493 64 I 3.7061 8.0800 120.8394 64.7297 36.7618 178.5458 65 L 4.1282 8.2661 118.6291 56.7587 41.4202 177.7577 66 N 4.8629 8.0114 114.1504 53.0358 40.2230 176.6309 67 G 3.9044 7.6064 105.0118 45.4387 0.0000 174.7052 68 Q 4.6911 9.2593 127.1170 57.0079 34.3606 174.2436 69 G 4.0876 9.1129 114.2877 46.6096 0.0000 175.8065 70 G 3.6187 9.1247 112.9411 47.8710 0.0000 173.6120 71 M 4.1747 8.4192 122.0550 54.4031 32.5943 173.6626 72 P 4.7332 0.0000 0.0000 62.1998 32.6132 176.1543 73 G 3.8188 8.4462 109.5091 46.1342 0.0000 173.1955 74 G 3.8680 8.7671 108.1168 47.1093 0.0000 175.8080 75 I 3.6435 8.0373 120.0130 63.8208 37.6372 176.7380 76 A 5.0019 7.5227 121.0977 50.5341 20.3424 175.8404 77 K 4.7274 8.0650 117.2751 55.3281 37.2485 177.4548 78 G 3.8253 8.6331 107.8165 46.2620 0.0000 175.6378 79 A 4.1013 8.6070 121.3719 54.5874 18.2881 178.7323 80 E 3.7839 8.2956 117.0004 59.6543 29.5898 178.7558 81 A 3.9871 7.7091 120.2195 55.2134 18.4147 179.2265 82 E 3.8838 8.4607 117.1322 59.6016 29.5290 179.4285 83 A 4.0855 8.3040 120.8706 55.2453 18.4817 179.5685 84 V 3.5825 7.7777 116.3152 66.2292 31.5867 177.6427 85 A 4.0226 8.4617 120.4865 55.3847 18.1885 179.3497 86 A 3.9525 8.3736 119.1031 55.1211 18.2991 179.4861 87 W 4.1883 8.3943 125.6647 60.8974 31.0932 177.8273 88 L 3.8612 8.8616 118.9147 57.5348 40.8957 179.1382 89 A 3.9971 8.4424 121.2678 55.4741 18.0290 179.5638 90 E 3.9928 7.9104 115.8056 58.2119 29.5092 178.2618 91 K 3.9831 7.2706 119.5220 55.9888 32.6779 177.3763 92 K 4.0537 8.1991 122.1544 56.8546 33.0326 175.8005 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 22 V 8.05 3.91 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 0.93 0.00 0.00 0.90 0.00 0.00 23 D 8.25 4.22 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.02 3.71 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.07 2.68 0.00 1.79 1.76 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 1.50 2.07 0.00 26 A 7.55 3.86 1.23 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 27 V 7.80 3.58 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 1.02 0.00 0.00 0.90 0.00 0.00 28 V 7.77 3.56 1.98 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 1.18 0.00 0.00 0.93 0.00 0.00 29 Q 8.22 4.14 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.37 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 30 Q 8.07 4.72 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 31 K 8.08 4.68 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 32 C 8.46 4.45 0.00 3.05 3.04 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 33 I 7.88 3.87 1.99 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 1.68 0.63 1.06 0.00 0.00 34 S 7.98 4.08 0.00 3.87 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 35 C 7.92 4.69 0.00 2.82 2.83 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 0.00 36 H 8.54 4.47 0.00 3.35 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.98 4.40 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 0.00 38 G 8.56 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.06 4.70 0.00 2.80 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 L 8.39 3.94 0.00 1.88 1.87 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.43 3.99 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 1.28 0.00 0.00 42 G 9.59 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 43 A 7.81 4.42 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 44 S 8.12 4.53 0.00 3.84 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 45 A 7.35 4.64 0.96 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 46 P 0.00 4.73 0.00 2.25 2.12 0.00 3.79 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 2.09 2.02 0.00 47 A 8.44 4.38 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 48 I 8.21 4.34 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.24 0.91 0.00 0.00 49 D 8.10 4.35 0.00 2.69 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 50 K 7.93 4.76 0.00 1.85 1.98 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.27 7.81 51 A 8.44 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 53 A 7.67 4.11 1.25 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 0.00 0.00 54 N 7.55 4.18 0.00 1.95 1.42 0.00 0.00 6.72 7.30 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 55 Y 7.69 4.98 0.00 2.93 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.55 4.48 0.00 3.91 3.81 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 57 E 8.77 3.98 0.00 2.19 2.28 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 2.40 2.40 0.00 58 E 8.29 3.93 0.00 2.05 2.07 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 2.42 2.44 0.00 59 E 8.11 3.94 0.00 2.20 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 2.40 2.44 0.00 60 I 8.14 3.68 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.93 0.97 0.00 0.00 61 L 8.46 3.91 0.00 1.77 1.92 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.34 4.32 0.00 2.81 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 63 I 7.88 3.76 1.94 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.94 0.00 0.00 64 I 8.08 3.71 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 0.92 0.00 0.00 65 L 8.27 4.13 0.00 1.72 1.72 0.92 0.92 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 66 N 8.01 4.86 0.00 2.72 2.75 0.00 0.00 7.73 8.47 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 67 G 7.61 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 68 Q 9.26 4.69 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.60 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 69 G 9.11 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 0.00 0.00 0.00 0.00 70 G 9.12 3.62 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 0.00 0.00 0.00 71 M 8.42 4.17 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 72 P 0.00 4.73 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 73 G 8.45 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.77 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 75 I 8.04 3.64 1.89 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 1.36 0.67 0.93 0.00 0.00 76 A 7.52 5.00 1.30 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 0.00 0.00 0.00 77 K 8.07 4.73 0.00 1.76 1.65 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.58 7.81 78 G 8.63 3.83 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 0.00 0.00 0.00 0.00 79 A 8.61 4.10 1.32 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 0.00 0.00 0.00 0.00 0.00 80 E 8.30 3.78 0.00 2.07 2.05 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 2.35 2.36 0.00 81 A 7.71 3.99 1.28 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 0.00 0.00 0.00 82 E 8.46 3.88 0.00 2.01 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 0.00 2.34 2.49 0.00 83 A 8.30 4.09 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 84 V 7.78 3.58 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 1.10 0.00 0.00 0.98 0.00 0.00 85 A 8.46 4.02 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 86 A 8.37 3.95 1.44 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 0.00 0.00 0.00 87 W 8.39 4.19 0.00 3.25 3.53 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 88 L 8.86 3.86 0.00 1.96 1.71 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.44 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 90 E 7.91 3.99 0.00 2.02 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 2.31 2.34 0.00 91 K 7.27 3.98 0.00 1.59 1.60 0.00 0.61 0.00 0.00 0.74 0.00 0.00 2.48 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.87 0.63 7.81 92 K 8.20 4.05 0.00 1.62 1.57 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.53 7.81