NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.5893 8.1449 121.6951 57.6287 38.9299 174.5533 12 Q 3.9373 8.1274 127.2947 56.8838 29.3745 175.0615 13 T 4.1584 6.9368 111.4659 59.9162 71.7343 172.5453 14 A 3.9029 8.3152 125.7931 51.6514 18.4472 175.9926 15 P 4.5158 0.0000 0.0000 61.8116 32.2173 175.9913 16 F 4.0050 8.7758 121.5797 59.0815 39.7283 174.3996 17 D 4.5249 7.5092 125.5752 51.9645 42.6920 176.0527 18 S 4.2986 8.4641 122.3295 60.9635 62.8637 175.9411 19 R 3.7979 7.7454 119.2427 57.9023 30.3217 176.7177 20 F 5.0252 7.8163 115.8592 55.2719 38.9683 172.9820 21 P 4.6907 0.0000 0.0000 63.5358 32.4237 176.3999 22 N 5.0177 7.7435 116.2557 51.4504 41.0455 174.4999 23 Q 4.0537 8.6602 117.3540 59.1917 28.7737 176.7802 24 N 4.5118 8.1730 116.6585 53.9024 38.6655 173.8965 25 Q 4.6800 8.5748 123.6946 56.0112 29.9404 177.6453 26 T 4.1610 8.4877 118.1250 67.0542 68.4467 176.2169 27 R 4.2181 7.9797 119.4700 58.5047 30.2155 177.7589 28 N 3.1400 7.4427 116.7564 56.3368 38.9535 176.6825 29 C 4.2794 7.9008 119.8130 59.7334 44.2543 175.3870 30 W 4.2781 8.4418 129.5447 60.8099 30.3673 177.7588 31 Q 3.7451 8.8250 119.7284 59.1326 28.4899 177.8191 32 N 4.7043 8.3662 117.7725 56.0612 38.7078 176.8704 33 Y 3.6778 8.1293 121.1319 60.5669 38.8944 177.6301 34 L 3.6078 7.6470 119.9426 58.0963 41.6390 179.1424 35 D 4.0273 8.2265 118.7235 57.3759 40.6094 179.0081 36 F 4.1504 8.0681 120.7250 61.7763 39.5176 176.9437 37 H 3.6766 7.6805 115.1289 58.1692 28.3679 178.0804 38 R 3.7167 8.0569 120.4739 59.6325 29.8660 177.5052 39 C 3.8640 8.0492 117.9859 60.0704 41.5746 175.2270 40 E 3.6815 7.9825 119.7010 59.5496 29.1285 179.9491 41 K 3.9625 7.7173 117.5703 59.6285 32.6358 179.0384 42 A 3.7780 8.1857 122.2622 55.4098 18.2958 179.1465 43 M 4.0729 8.4342 117.8244 58.6535 31.8467 178.7772 44 T 3.8582 8.2746 116.4496 67.5079 69.0741 175.3738 45 A 3.7881 8.9181 121.4458 56.1166 17.8714 178.5848 46 K 4.0669 7.7657 114.7814 55.3185 33.7559 177.5749 47 G 3.9423 7.9058 107.6955 46.8830 0.0000 171.7481 48 G 4.1665 7.8443 105.7092 43.7999 0.0000 170.4383 49 D 4.6386 8.3151 119.4569 52.8945 41.1524 178.1797 50 V 3.5191 8.0944 128.2160 65.2867 32.1884 177.7403 51 S 4.4080 8.7135 115.0984 60.8717 62.8429 176.2767 52 V 3.8429 7.6250 114.9930 63.4980 31.4593 176.6623 53 C 4.9023 8.1872 115.4477 58.0474 41.1023 174.9371 54 E 3.8527 8.0920 122.0978 58.9055 29.0552 178.1594 55 W 4.1304 8.3025 127.9228 61.0472 30.6453 177.3043 56 Y 4.2220 7.6821 116.2920 61.2271 37.3181 178.8867 57 R 3.0136 7.6880 119.1254 58.8285 29.9780 178.7243 58 R 3.3358 7.3448 117.8792 58.8722 29.9660 178.7127 59 V 3.4857 7.0641 118.3005 66.4751 31.3945 177.7114 60 Y 4.3595 7.9910 117.0533 60.1198 37.5824 178.3620 61 K 3.9631 7.3976 119.5788 59.1564 32.1691 179.1179 62 S 4.2489 8.0417 114.8710 61.3730 62.8513 176.0276 63 L 4.3370 7.8214 119.6039 55.4392 42.4613 176.7714 64 C 4.4305 8.3776 116.4784 55.3054 42.4486 172.4410 65 P 4.1836 0.0000 0.0000 62.7170 32.6778 177.6742 66 I 3.7144 8.1237 121.9403 64.6289 37.1697 179.0359 67 S 4.1118 7.9479 114.5620 61.0609 62.7426 176.5470 68 W 3.5154 7.9185 122.1466 59.3248 28.7224 178.4088 69 V 3.5723 7.7296 118.2194 66.1209 31.0243 178.0380 70 S 4.1608 8.3567 113.1344 61.6655 62.1451 176.2709 71 T 3.9319 7.9961 118.5289 66.4673 68.0947 176.8452 72 W 4.6104 8.3251 121.0756 59.8468 29.0075 178.3789 73 D 4.4654 8.7275 119.2883 57.4633 40.3138 178.3288 74 D 4.4554 8.2396 119.3165 57.8137 40.8305 179.4075 75 R 4.0889 8.5131 118.5577 59.2992 30.0779 179.3145 76 R 3.9611 8.5167 118.0656 59.2834 29.8149 178.9722 77 A 4.0861 8.0825 119.5284 54.5947 18.4309 178.5965 78 E 4.2411 8.1148 116.6162 56.7013 29.8469 177.2616 79 G 3.9580 7.8719 106.0484 46.2592 0.0000 173.7203 80 T 4.5625 8.1290 106.8358 60.7323 69.1089 173.5569 81 F 4.4417 8.3088 124.9372 57.9019 39.7427 173.4302 82 P 4.3775 0.0000 0.0000 63.7309 31.9473 176.6720 83 G 3.7056 6.2814 107.9780 44.8198 0.0000 173.0298 84 K 4.2513 8.4701 122.7722 55.4597 32.6683 176.9355 85 I 4.0295 8.3116 126.1825 61.4553 37.5022 175.4260 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 11 Y 8.14 4.59 0.00 3.05 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 12 Q 8.13 3.94 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.60 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 13 T 6.94 4.16 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 1.11 0.00 0.00 14 A 8.32 3.90 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 15 P 0.00 4.52 0.00 2.24 2.15 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 16 F 8.78 4.01 0.00 3.04 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.51 4.52 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.46 4.30 0.00 4.10 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 19 R 7.75 3.80 0.00 0.90 0.88 0.00 2.94 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.38 0.00 20 F 7.82 5.03 0.00 2.92 2.94 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 0.00 0.00 0.00 21 P 0.00 4.69 0.00 2.33 2.36 0.00 3.82 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 22 N 7.74 5.02 0.00 2.81 2.88 0.00 0.00 6.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.66 4.05 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 24 N 8.17 4.51 0.00 2.74 2.84 0.00 0.00 6.81 7.08 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 25 Q 8.57 4.68 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.64 0.00 0.00 0.00 0.00 0.00 2.56 2.33 0.00 26 T 8.49 4.16 4.38 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 1.38 0.00 0.00 27 R 7.98 4.22 0.00 2.00 2.03 0.00 3.35 0.00 0.00 3.47 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 28 N 7.44 3.14 0.00 2.30 2.74 0.00 0.00 6.84 7.65 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 29 C 7.90 4.28 0.00 3.13 3.60 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 30 W 8.44 4.28 0.00 3.48 3.27 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 31 Q 8.82 3.75 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.63 2.72 0.00 32 N 8.37 4.70 0.00 3.13 3.12 0.00 0.00 6.59 7.62 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 33 Y 8.13 3.68 0.00 3.09 2.82 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 34 L 7.65 3.61 0.00 1.57 1.37 0.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.23 4.03 0.00 2.27 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.07 4.15 0.00 3.30 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.68 3.68 0.00 2.89 3.01 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.06 3.72 0.00 1.60 1.83 0.00 2.98 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 39 C 8.05 3.86 0.00 2.88 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 40 E 7.98 3.68 0.00 1.55 1.72 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 2.01 1.47 0.00 41 K 7.72 3.96 0.00 1.92 1.93 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.37 7.81 42 A 8.19 3.78 1.34 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 0.00 0.00 0.00 43 M 8.43 4.07 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 44 T 8.27 3.86 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 1.18 0.00 0.00 45 A 8.92 3.79 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 46 K 7.77 4.07 0.00 1.71 1.85 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.70 7.81 47 G 7.91 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.84 4.17 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 0.00 0.00 0.00 49 D 8.32 4.64 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.52 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 1.05 0.00 0.00 0.87 0.00 0.00 51 S 8.71 4.41 0.00 4.11 4.37 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 52 V 7.62 3.84 2.13 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 0.78 0.00 0.00 1.05 0.00 0.00 53 C 8.19 4.90 0.00 3.31 3.35 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 0.00 54 E 8.09 3.85 0.00 2.07 2.11 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 2.27 2.29 0.00 55 W 8.30 4.13 0.00 3.32 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 56 Y 7.68 4.22 0.00 3.51 3.38 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 57 R 7.69 3.01 0.00 0.68 1.40 0.00 2.79 0.00 0.00 2.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 58 R 7.34 3.34 0.00 1.02 0.66 0.00 2.93 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.00 59 V 7.06 3.49 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 1.15 0.00 0.00 0.29 0.00 0.00 60 Y 7.99 4.36 0.00 3.39 3.42 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 61 K 7.40 3.96 0.00 1.66 1.72 0.00 1.44 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.96 1.01 7.81 62 S 8.04 4.25 0.00 4.03 3.95 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 0.00 0.00 0.00 63 L 7.82 4.34 0.00 1.70 1.73 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.38 4.43 0.00 3.23 3.11 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 65 P 0.00 4.18 0.00 1.09 1.50 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.47 0.00 66 I 8.12 3.71 1.83 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 1.68 0.66 0.91 0.00 0.00 67 S 7.95 4.11 0.00 4.06 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 0.00 68 W 7.92 3.52 0.00 2.97 1.74 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 69 V 7.73 3.57 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 1.55 0.00 0.00 1.27 0.00 0.00 70 S 8.36 4.16 0.00 3.95 3.94 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 0.00 0.00 0.00 71 T 8.00 3.93 4.14 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 0.00 0.00 0.00 1.21 0.00 0.00 72 W 8.33 4.61 0.00 3.29 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 73 D 8.73 4.47 0.00 3.05 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 74 D 8.24 4.46 0.00 3.04 2.79 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 75 R 8.51 4.09 0.00 2.16 2.28 0.00 3.34 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 76 R 8.52 3.96 0.00 1.94 1.89 0.00 2.65 0.00 0.00 2.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.17 0.00 77 A 8.08 4.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.24 0.00 2.03 2.15 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 2.34 2.35 0.00 79 G 7.87 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 80 T 8.13 4.56 4.28 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 1.25 0.00 0.00 81 F 8.31 4.44 0.00 3.13 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 82 P 0.00 4.38 0.00 2.05 2.02 0.00 3.01 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 83 G 6.28 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 84 K 8.47 4.25 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.46 7.81 85 I 8.31 4.03 1.84 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 1.10 0.82 0.78 0.00 0.00