NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 K 4.3180 8.1727 120.1355 56.2494 33.5395 176.3130 22 V 3.4490 7.7896 121.3041 64.6199 31.7874 176.1520 23 K 4.2753 8.5479 122.4850 59.2882 33.2137 177.3909 24 A 4.1718 8.1639 120.4891 54.9280 18.6418 177.9735 25 T 4.3381 7.0958 112.8253 59.7623 67.0977 173.1170 26 L 4.4581 6.8228 126.0502 55.0617 45.5601 172.6531 27 G 4.2652 8.2174 109.9614 44.5993 0.0000 172.2160 28 E 4.1735 8.9369 123.1202 56.1971 30.0260 176.1138 29 F 4.9418 7.7772 117.3237 55.4006 40.7154 173.1220 30 D 4.4845 8.6259 122.1820 53.8346 41.7021 176.5556 31 L 4.3835 8.3700 125.5632 56.6351 42.0754 177.8176 32 R 4.3579 7.8056 116.4636 56.8033 31.1262 176.8012 33 D 4.6834 8.0479 118.1534 53.8781 39.1995 175.5649 34 Y 4.4612 8.9918 119.3493 57.7557 38.2405 177.3416 35 R 4.1368 7.5159 119.9125 58.1449 31.1047 176.3469 36 N 4.4653 7.9515 117.5735 54.2264 37.3714 175.0815 37 V 3.6361 7.9732 125.6897 65.3452 31.8785 176.7627 38 E 3.9676 8.2744 117.1369 58.5370 29.4890 178.4185 39 V 3.9530 7.4512 117.7188 63.5207 32.3542 177.5575 40 L 4.2012 7.5329 120.5955 57.2076 41.6191 179.6062 41 K 3.9733 8.1316 118.3689 60.5561 31.9903 178.6460 42 R 3.8949 7.7543 116.8667 57.5630 30.2124 177.7412 43 F 4.7129 9.0178 117.7708 56.6419 39.4040 175.3537 44 L 4.9054 7.1767 118.9255 53.0093 43.6172 176.2064 45 S 4.6350 8.2058 114.7924 57.5335 65.0980 173.8158 46 E 4.0531 8.7228 118.2330 58.8593 28.1609 176.4931 47 T 4.6108 7.3940 115.9391 61.1213 71.1296 175.4308 48 G 3.7834 8.6247 110.5073 48.3085 0.0000 174.3828 49 K 3.9579 7.2736 117.2041 57.0123 33.5517 176.0445 50 I 4.4003 8.1526 123.3241 60.2600 37.9171 175.8697 51 L 4.1082 8.4527 127.3337 54.9643 42.3485 175.8076 52 P 4.6249 0.0000 0.0000 61.5943 32.6113 177.3990 53 R 4.0734 8.6993 119.4848 59.5129 30.2198 179.4339 54 R 3.9177 8.0368 113.2284 59.0974 28.8151 177.5570 55 R 4.1818 8.1180 119.0473 57.3153 31.1865 178.8277 56 T 3.8727 7.7963 107.5923 64.3332 69.2079 175.8066 57 G 3.7921 8.1101 107.8586 45.0808 0.0000 173.2643 58 L 4.5658 7.6853 120.2724 53.6632 43.7981 174.9397 59 S 4.8336 8.1243 113.7289 57.3553 65.1918 174.6655 60 G 3.5258 8.5872 105.4489 48.2838 0.0000 175.7819 61 K 4.0225 7.9011 121.9400 58.9230 32.4253 178.5700 62 E 3.9362 8.1944 118.9056 59.5363 29.3773 179.1795 63 Q 3.8519 7.8962 119.1071 59.1523 28.6136 177.9753 64 R 3.8264 7.6313 118.5788 59.6075 29.9598 178.4581 65 I 3.8284 7.3983 119.4879 63.8937 37.1965 177.9544 66 L 4.0238 7.7484 120.8465 58.4758 41.8073 177.9390 67 A 3.9328 8.3056 120.8483 54.5116 17.8962 179.2588 68 K 3.7666 7.7746 116.4383 59.9795 32.7971 179.0583 69 T 3.9567 8.3712 115.6051 66.8929 68.3704 176.2726 70 I 3.6718 8.1686 121.4598 64.7785 37.1286 178.5527 71 K 3.8002 7.7320 117.2791 59.2264 31.9876 178.9436 72 R 4.1621 8.1917 118.4649 58.7851 30.5499 178.3066 73 A 4.1391 8.1561 119.9169 55.8790 18.1484 179.1747 74 R 4.5204 8.3755 118.1013 58.7569 29.7954 178.8625 75 I 3.9435 7.5691 119.5503 64.4784 37.9511 177.5987 76 L 4.5923 8.1678 118.8978 57.6188 42.1411 177.3274 77 G 4.4653 7.9841 102.8076 46.3468 0.0000 175.5754 78 L 4.2436 8.1057 123.8423 55.8873 42.2634 177.5114 79 L 4.7950 7.7142 117.8658 51.7406 44.3074 174.6894 80 P 5.0353 0.0000 0.0000 62.9767 32.1787 175.5691 81 F 4.6255 8.4436 114.9458 58.3488 40.8341 176.0659 82 T 4.4383 7.4899 110.7352 61.4163 69.8367 172.1015 83 E 4.9516 8.6669 126.8808 54.6040 32.3350 174.4572 84 K 4.6863 8.2406 117.7820 54.9750 35.9032 175.0868 85 L 4.4075 8.2072 121.3279 54.3601 43.7615 174.3566 86 V 3.6671 8.5947 124.1236 63.3227 31.0380 177.2096 87 R 3.6560 7.3161 122.1731 56.4215 28.7858 176.3363 88 K 3.9999 8.5258 121.8657 57.1403 32.8819 174.8766 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 21 K 8.17 4.32 0.00 1.86 1.84 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.45 7.81 22 V 7.79 3.45 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 -0.04 0.00 0.00 0.83 0.00 0.00 23 K 8.55 4.28 0.00 2.07 1.93 0.00 2.00 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.55 7.81 24 A 8.16 4.17 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 25 T 7.10 4.34 4.21 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 1.18 0.00 0.00 26 L 6.82 4.46 0.00 1.62 1.84 0.75 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 27 G 8.22 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 0.00 0.00 0.00 0.00 28 E 8.94 4.17 0.00 1.99 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 2.32 2.37 0.00 29 F 7.78 4.94 0.00 3.18 3.05 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 0.00 0.00 0.00 30 D 8.63 4.48 0.00 2.67 2.68 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 31 L 8.37 4.38 0.00 1.59 1.69 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.81 4.36 0.00 1.94 2.02 0.00 3.16 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 33 D 8.05 4.68 0.00 2.80 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 34 Y 8.99 4.46 0.00 3.19 3.01 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 35 R 7.52 4.14 0.00 1.65 1.86 0.00 3.00 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.00 36 N 7.95 4.47 0.00 3.06 2.79 0.00 0.00 6.84 7.61 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 37 V 7.97 3.64 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 1.01 0.00 0.00 1.03 0.00 0.00 38 E 8.27 3.97 0.00 1.93 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 0.00 2.30 2.43 0.00 39 V 7.45 3.95 2.22 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 1.01 0.00 0.00 0.51 0.00 0.00 40 L 7.53 4.20 0.00 1.74 1.87 1.02 0.90 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 41 K 8.13 3.97 0.00 1.93 2.09 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 42 R 7.75 3.89 0.00 1.25 1.56 0.00 2.82 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 43 F 9.02 4.71 0.00 3.13 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 44 L 7.18 4.91 0.00 1.65 1.70 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.21 4.63 0.00 3.97 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 46 E 8.72 4.05 0.00 1.98 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 2.30 2.32 0.00 47 T 7.39 4.61 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 48 G 8.62 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.27 3.96 0.00 1.70 1.79 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.48 7.81 50 I 8.15 4.40 1.87 0.00 0.00 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 1.32 0.46 0.91 0.00 0.00 51 L 8.45 4.11 0.00 1.73 1.71 1.05 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.62 0.00 2.19 1.96 0.00 3.65 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 2.11 2.11 0.00 53 R 8.70 4.07 0.00 1.87 2.02 0.00 3.12 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 54 R 8.04 3.92 0.00 1.93 2.08 0.00 3.04 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 55 R 8.12 4.18 0.00 2.01 1.93 0.00 3.34 0.00 0.00 3.23 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 56 T 7.80 3.87 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 57 G 8.11 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 58 L 7.69 4.57 0.00 1.65 1.74 0.77 0.90 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 59 S 8.12 4.83 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 60 G 8.59 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 0.00 0.00 0.00 61 K 7.90 4.02 0.00 1.82 1.78 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 E 8.19 3.94 0.00 2.13 1.94 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 2.28 2.29 0.00 63 Q 7.90 3.85 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 64 R 7.63 3.83 0.00 2.12 2.01 0.00 3.12 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 65 I 7.40 3.83 1.98 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 1.38 0.47 0.89 0.00 0.00 66 L 7.75 4.02 0.00 1.56 1.60 0.80 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.31 3.93 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 68 K 7.77 3.77 0.00 1.88 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.63 7.81 69 T 8.37 3.96 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 1.29 0.00 0.00 70 I 8.17 3.67 1.82 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 1.54 0.62 0.82 0.00 0.00 71 K 7.73 3.80 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.56 7.81 72 R 8.19 4.16 0.00 2.05 1.93 0.00 2.90 0.00 0.00 2.62 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 73 A 8.16 4.14 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 74 R 8.38 4.52 0.00 1.51 0.84 0.00 2.44 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.31 0.00 75 I 7.57 3.94 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.72 0.99 0.00 0.00 76 L 8.17 4.59 0.00 1.76 1.73 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.98 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 0.00 0.00 0.00 0.00 78 L 8.11 4.24 0.00 1.84 1.76 0.99 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.71 4.79 0.00 1.67 1.50 0.94 0.95 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 80 P 0.00 5.04 0.00 2.26 2.21 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 81 F 8.44 4.63 0.00 2.89 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 4.44 4.32 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 1.27 0.00 0.00 83 E 8.67 4.95 0.00 1.93 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 2.23 2.24 0.00 84 K 8.24 4.69 0.00 1.69 1.70 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.39 7.81 85 L 8.21 4.41 0.00 1.58 1.55 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.59 3.67 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 0.93 0.00 0.00 87 R 7.32 3.66 0.00 1.87 1.85 0.00 3.42 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 88 K 8.53 4.00 0.00 1.98 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.10 7.81