NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2380 8.0333 115.4677 61.5719 69.3196 172.2516 2 W 4.3744 8.4016 125.8946 55.0817 30.0013 174.4265 3 G 4.0395 8.1063 111.2625 46.4138 0.0000 171.4659 4 V 5.2450 8.5369 118.6035 61.4762 35.1264 174.3753 5 S 4.8978 9.5440 122.7603 56.9641 66.3334 173.1941 6 S 5.3542 9.0200 118.5976 54.4388 65.8610 172.1101 7 P 4.3311 0.0000 0.0000 63.3362 31.6671 176.8643 8 K 4.1331 8.9872 123.4186 59.4618 33.2388 176.0799 9 N 5.7169 7.9817 114.4599 51.6480 42.9036 174.3659 10 V 4.5438 8.8389 121.0253 61.4475 35.3986 173.9112 11 Q 5.2346 8.7365 125.1181 54.4940 31.7099 174.9939 12 G 4.2464 8.6613 107.4406 45.1395 0.0000 171.6540 13 L 5.1383 8.3436 121.7383 52.7058 43.6903 176.3592 14 S 4.2935 8.6561 119.0413 60.0763 62.6524 174.7308 15 G 3.9643 9.1921 115.7881 45.4611 0.0000 173.2580 16 S 5.0343 7.8460 115.9659 57.2982 65.4581 172.2461 17 C 5.4365 8.5848 114.3849 58.2765 32.0918 173.2663 18 L 4.7472 8.5105 121.2900 53.4239 45.8250 174.4528 19 L 4.9461 8.3895 125.3082 53.3138 44.8280 175.5788 20 I 4.3364 8.5349 128.2615 58.8154 37.9208 173.4445 21 P 4.8868 0.0000 0.0000 63.2726 32.8721 175.9508 22 C 5.4496 9.4952 120.9095 55.8178 46.3620 172.6125 23 I 5.3033 8.9511 118.9459 59.3696 41.1979 173.7041 24 F 5.5006 8.1451 117.0802 56.1446 41.4463 173.1083 25 S 4.5026 9.2284 112.7135 57.8632 66.3186 172.7712 26 Y 4.3492 7.1419 117.1981 54.6658 40.8837 172.8034 27 P 4.0404 0.0000 0.0000 62.3324 31.9310 177.8128 28 A 3.7930 8.3795 125.3421 54.9081 18.3955 177.9170 29 D 4.6150 7.9182 113.1008 53.5034 39.8466 176.1141 30 V 4.0765 7.7136 121.4621 61.3886 32.0443 173.8252 31 P 4.4703 0.0000 0.0000 62.3789 32.0910 176.2482 32 V 4.2393 8.2716 120.8881 61.3542 31.8181 174.5874 33 S 4.6771 8.5302 120.8088 58.2356 64.9007 174.2734 34 N 4.9199 7.6611 117.4906 52.6383 38.8601 174.0063 35 G 3.9592 8.0503 108.4389 45.2618 0.0000 171.8839 36 I 4.7646 8.0636 118.0051 59.6742 39.8212 175.7635 37 T 4.4419 9.1535 124.1790 62.6880 70.1429 173.5079 38 A 5.0136 9.1038 128.5528 50.3114 21.8650 175.6360 39 I 4.9318 8.1353 122.3733 59.4284 41.8291 174.1246 40 W 5.2597 8.9713 126.6972 55.1727 31.8671 174.4158 41 Y 5.3226 9.3368 121.9033 56.4480 40.8040 173.8752 42 Y 4.6047 9.3535 124.4886 56.2324 41.3561 175.1482 43 D 4.1708 8.1034 126.2208 54.6090 40.4256 174.2251 44 Y 3.9913 8.2571 120.8977 60.9507 38.8687 177.2482 45 S 4.2996 8.1426 110.2482 58.9482 64.7000 173.9615 46 G 3.7460 7.7759 106.8513 46.1096 0.0000 174.2186 47 K 3.9280 6.8703 123.7457 57.2407 33.5635 177.2503 48 R 3.6775 7.8083 117.8472 57.1632 28.4537 174.6165 49 Q 4.8472 8.4609 118.5671 54.1079 32.2947 176.1001 50 V 4.0576 8.4072 122.9411 62.6565 32.2102 176.3526 51 V 3.8048 8.7927 128.8552 64.6843 32.5844 176.2485 52 I 4.7509 7.5011 119.0860 60.3531 42.2627 174.5225 53 H 5.1037 8.7163 125.2258 55.3172 30.8023 173.5338 54 S 4.2278 9.1170 121.2035 61.1007 62.9944 176.5146 55 G 3.7093 8.3657 108.8851 48.2292 0.0000 173.3123 56 D 4.4722 7.9704 121.5937 51.8777 42.2561 173.1459 57 P 4.3317 0.0000 0.0000 65.3748 31.1423 178.7094 58 K 4.1484 8.0783 116.0168 58.5122 32.6338 177.5464 59 L 4.1804 7.8610 119.2403 56.0462 41.9642 177.5463 60 V 3.8289 7.5605 119.5526 62.6284 32.0515 175.2137 61 D 4.6037 9.3344 127.3020 53.7233 42.1636 177.0459 62 K 3.8614 8.8709 124.5636 60.1090 32.4699 178.9148 63 R 3.8621 8.3183 118.4997 57.9580 30.1271 176.6588 64 F 4.7720 8.2201 114.7837 56.9950 40.9805 175.5243 65 R 4.0455 7.4332 119.2130 57.9327 30.0947 177.2772 66 G 3.9805 8.9989 109.7194 45.9624 0.0000 173.7076 67 R 4.6832 8.3879 117.5896 55.7772 32.0316 175.4117 68 A 5.3582 7.8811 119.8766 50.2994 22.5418 175.1235 69 E 4.7335 8.7299 116.2614 54.9110 33.4570 174.1793 70 L 4.6365 8.6430 124.7955 55.6191 42.5465 176.1741 71 M 4.5827 9.3819 125.2718 55.0869 33.0724 175.9994 72 G 4.2304 7.9419 105.9817 44.0237 0.0000 173.0400 73 N 4.7960 8.4830 121.1327 52.2955 39.8491 175.5754 74 M 4.4019 9.0462 126.8457 58.7896 32.4475 178.5655 75 D 4.4628 8.3481 117.1621 57.2607 41.1212 176.6874 76 H 4.6588 8.6904 114.5251 54.7416 29.1041 174.8678 77 K 2.5212 7.6160 117.7573 57.3022 30.0264 174.6257 78 V 4.7951 7.6100 117.1640 60.8462 34.3482 173.0679 79 C 5.0118 9.0892 121.4073 54.9149 39.8976 173.5407 80 N 4.5749 8.4144 116.0610 54.9054 39.4073 173.2422 81 L 4.8877 8.6843 124.9568 53.0372 44.8058 174.4495 82 L 4.9457 8.8258 128.8733 53.3545 44.4297 174.6740 83 L 5.1316 8.7053 126.4319 52.9753 44.0634 175.8314 84 K 4.6469 9.4219 124.0593 54.5430 34.5946 175.7368 85 D 4.3221 8.4901 119.5465 54.7166 38.5972 174.4652 86 L 4.2310 7.7369 118.1548 55.4292 42.9930 177.5196 87 K 4.8992 9.1012 120.6650 53.7221 35.8825 175.7471 88 P 4.4002 0.0000 0.0000 65.8853 31.3679 178.4486 89 E 4.1626 8.1407 115.7558 58.5357 29.3700 177.2395 90 D 4.5435 8.3355 117.9312 54.9982 41.3855 177.1043 91 S 4.5584 8.1468 116.6354 57.7881 63.7238 175.2645 92 G 3.9961 8.0468 110.7296 45.9430 0.0000 170.4709 93 T 5.1717 7.7675 116.2458 62.3151 70.9156 173.5131 94 Y 5.8702 9.1781 123.2761 55.5363 41.2632 174.4344 95 N 5.5572 9.2427 120.4209 51.5286 42.6768 173.1854 96 F 4.3950 8.4987 124.8793 56.8462 41.6202 174.2255 97 R 4.8612 7.3563 124.1399 54.3873 33.8206 173.6618 98 F 5.1730 8.3383 119.1913 55.0137 41.8916 173.3315 99 E 4.5583 9.1567 119.7960 55.2136 32.4927 175.4338 100 I 4.0816 8.4210 125.2962 60.9877 38.9235 175.5593 101 S 4.5674 7.8735 111.3262 58.6620 65.9122 177.8063 102 D 4.3031 8.4685 125.4855 55.9290 39.7981 175.7416 103 S 4.3508 8.7236 121.7610 60.1439 63.5648 174.8037 104 N 4.6329 8.2843 121.9661 52.0274 36.8270 173.6981 105 R 4.9301 7.0781 116.0705 54.2225 33.7003 175.1832 106 W 4.5093 8.4240 130.0622 56.0678 34.4273 172.7924 107 L 4.5429 7.4689 129.5088 52.9044 43.0164 175.2458 108 D 4.5481 8.7756 127.4371 54.3647 41.5238 176.4263 109 V 3.7759 8.1991 119.6758 63.0735 32.1552 177.7722 110 K 3.9357 8.2962 119.1502 58.5319 32.2099 179.0405 111 G 4.1363 8.4026 106.9853 45.1707 0.0000 172.1704 112 T 4.9251 8.8959 114.9212 61.1866 71.3641 174.0821 113 T 4.9214 8.8369 123.6649 62.6853 70.0947 173.8411 114 V 4.8454 9.3882 127.6029 61.6395 33.9980 174.6327 115 T 4.8113 8.8221 124.1548 61.9412 71.2330 173.0555 116 V 4.7537 8.8635 128.5267 61.6690 32.4939 175.2110 117 T 4.6973 8.7528 118.2326 59.6671 72.0236 174.2209 118 T 4.4797 8.3096 118.1723 62.8090 68.0262 174.9482 *119 D 4.4530 8.1525 124.0152 53.1906 40.5341 177.4792 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 T 8.03 4.24 4.18 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 1.11 0.00 0.00 2 W 8.40 4.37 0.00 2.50 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 3 G 8.11 4.04 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 0.00 0.00 0.00 4 V 8.54 5.25 2.44 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 1.04 0.00 0.00 1.57 0.00 0.00 5 S 9.54 4.90 0.00 3.78 3.76 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 6 S 9.02 5.35 0.00 4.14 4.05 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 7 P 0.00 4.33 0.00 2.33 2.27 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 8 K 8.99 4.13 0.00 1.92 1.90 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.54 7.81 9 N 7.98 5.72 0.00 2.61 2.67 0.00 0.00 6.57 7.68 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 10 V 8.84 4.54 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 0.92 0.00 0.00 0.92 0.00 0.00 11 Q 8.74 5.23 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 12 G 8.66 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 0.00 0.00 0.00 0.00 13 L 8.34 5.14 0.00 1.60 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.66 4.29 0.00 3.81 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 15 G 9.19 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 16 S 7.85 5.03 0.00 3.89 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 17 C 8.58 5.44 0.00 2.81 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 18 L 8.51 4.75 0.00 1.64 1.35 0.81 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.39 4.95 0.00 1.59 1.44 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.53 4.34 1.43 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.31 0.91 0.00 0.00 21 P 0.00 4.89 0.00 2.13 2.18 0.00 3.73 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 2.10 1.97 0.00 22 C 9.50 5.45 0.00 3.25 3.14 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 0.00 23 I 8.95 5.30 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.17 0.87 0.00 0.00 24 F 8.15 5.50 0.00 2.93 2.90 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 25 S 9.23 4.50 0.00 3.54 3.70 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 26 Y 7.14 4.35 0.00 1.51 2.16 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 2.19 1.92 0.00 2.68 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 28 A 8.38 3.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.62 0.00 2.81 2.78 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 30 V 7.71 4.08 2.40 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 0.89 0.00 0.00 1.02 0.00 0.00 31 P 0.00 4.47 0.00 2.26 2.07 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 32 V 8.27 4.24 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 0.92 0.00 0.00 0.94 0.00 0.00 33 S 8.53 4.68 0.00 4.02 3.97 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 0.00 0.00 0.00 34 N 7.66 4.92 0.00 2.68 2.80 0.00 0.00 6.92 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 35 G 8.05 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 36 I 8.06 4.76 2.00 0.00 0.00 1.00 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 0.81 1.12 0.00 0.00 37 T 9.15 4.44 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 38 A 9.10 5.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 4.93 1.47 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.39 0.19 0.00 0.00 40 W 8.97 5.26 0.00 3.32 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 41 Y 9.34 5.32 0.00 3.00 2.98 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 42 Y 9.35 4.60 0.00 2.51 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 43 D 8.10 4.17 0.00 1.58 2.06 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 44 Y 8.26 3.99 0.00 2.83 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 45 S 8.14 4.30 0.00 3.99 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 46 G 7.78 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 47 K 6.87 3.93 0.00 1.75 1.95 0.00 2.05 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.37 7.81 48 R 7.81 3.68 0.00 1.72 1.80 0.00 2.86 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.06 0.00 49 Q 8.46 4.85 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.63 2.45 0.00 50 V 8.41 4.06 2.33 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 0.85 0.00 0.00 0.97 0.00 0.00 51 V 8.79 3.80 2.18 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 0.50 0.00 0.00 0.00 0.00 0.00 52 I 7.50 4.75 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.93 1.09 0.00 0.00 53 H 8.72 5.10 0.00 3.14 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.12 4.23 0.00 3.99 4.06 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 55 G 8.37 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 56 D 7.97 4.47 0.00 2.79 2.38 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 P 0.00 4.33 0.00 2.28 2.36 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 58 K 8.08 4.15 0.00 1.89 1.99 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.46 7.81 59 L 7.86 4.18 0.00 1.61 1.72 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.56 3.83 2.23 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 0.90 0.00 0.00 1.03 0.00 0.00 61 D 9.33 4.60 0.00 3.00 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 62 K 8.87 3.86 0.00 1.94 2.09 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.39 7.81 63 R 8.32 3.86 0.00 1.64 2.06 0.00 3.00 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 64 F 8.22 4.77 0.00 3.14 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 65 R 7.43 4.05 0.00 1.94 1.94 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 66 G 9.00 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 67 R 8.39 4.68 0.00 1.93 2.12 0.00 3.21 0.00 0.00 3.13 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 68 A 7.88 5.36 1.19 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 0.00 0.00 0.00 69 E 8.73 4.73 0.00 2.04 2.03 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 2.19 2.24 0.00 70 L 8.64 4.64 0.00 1.79 1.70 1.19 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 M 9.38 4.58 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 72 G 7.94 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 73 N 8.48 4.80 0.00 2.72 2.63 0.00 0.00 7.05 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 74 M 9.05 4.40 0.00 2.28 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.65 0.00 75 D 8.35 4.46 0.00 3.02 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 76 H 8.69 4.66 0.00 3.04 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.62 2.52 0.00 1.53 1.21 0.00 1.27 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.48 0.90 7.81 78 V 7.61 4.80 2.17 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 1.06 0.00 0.00 0.92 0.00 0.00 79 C 9.09 5.01 0.00 1.66 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 0.00 0.00 0.00 0.00 80 N 8.41 4.57 0.00 2.68 2.82 0.00 0.00 6.46 6.74 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 81 L 8.68 4.89 0.00 0.61 0.64 0.58 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.83 4.95 0.00 1.70 1.59 0.94 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.71 5.13 0.00 1.46 1.47 0.52 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.42 4.65 0.00 1.65 1.70 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.37 7.81 85 D 8.49 4.32 0.00 2.75 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 86 L 7.74 4.23 0.00 1.86 1.60 0.93 0.61 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 87 K 9.10 4.90 0.00 1.69 1.81 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.49 7.81 88 P 0.00 4.40 0.00 2.18 2.13 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 89 E 8.14 4.16 0.00 1.88 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 0.00 2.29 2.41 0.00 90 D 8.34 4.54 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.15 4.56 0.00 4.00 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 92 G 8.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.77 5.17 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 1.35 0.00 0.00 94 Y 9.18 5.87 0.00 3.10 3.10 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 95 N 9.24 5.56 0.00 2.73 2.79 0.00 0.00 6.72 8.13 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 96 F 8.50 4.40 0.00 1.51 2.38 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 97 R 7.36 4.86 0.00 1.72 1.49 0.00 3.08 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.36 0.00 98 F 8.34 5.17 0.00 2.86 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 9.16 4.56 0.00 1.84 1.78 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 2.07 2.12 0.00 100 I 8.42 4.08 2.05 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.66 0.89 0.00 0.00 101 S 7.87 4.57 0.00 3.80 3.66 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 0.00 0.00 0.00 0.00 102 D 8.47 4.30 0.00 2.83 2.01 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 0.00 103 S 8.72 4.35 0.00 3.90 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 0.00 104 N 8.28 4.63 0.00 3.09 3.29 0.00 0.00 6.42 8.33 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 0.00 105 R 7.08 4.93 0.00 1.52 1.67 0.00 3.13 0.00 0.00 3.46 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 106 W 8.42 4.51 0.00 2.94 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 0.00 0.00 0.00 107 L 7.47 4.54 0.00 1.26 1.04 0.47 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.78 4.55 0.00 2.93 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 0.00 109 V 8.20 3.78 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 0.50 0.00 0.00 0.89 0.00 0.00 110 K 8.30 3.94 0.00 1.85 1.92 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.52 7.81 111 G 8.40 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 0.00 0.00 0.00 0.00 112 T 8.90 4.93 4.45 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 0.00 0.00 1.32 0.00 0.00 113 T 8.84 4.92 4.49 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 1.30 0.00 0.00 114 V 9.39 4.85 2.36 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 1.06 0.00 0.00 0.78 0.00 0.00 115 T 8.82 4.81 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 0.00 116 V 8.86 4.75 2.18 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 0.78 0.00 0.00 0.96 0.00 0.00 117 T 8.75 4.70 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 1.23 0.00 0.00 118 T 8.31 4.48 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 1.22 0.00 0.00 *119 D 8.15 4.45 0.00 2.48 2.47 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 * Residues marked with a * may have inaccurate shift predictions.