NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.1298 8.3449 119.6851 55.8277 30.1688 175.0700 3 N 4.5381 9.1034 121.8407 51.5435 40.8835 174.1531 4 A 3.6851 9.1579 120.6782 55.6663 19.2944 179.1488 5 D 4.2062 7.9957 116.8833 57.5910 40.7349 178.7688 6 D 4.3394 7.5266 118.8741 57.1639 40.7169 178.8141 7 F 4.0674 7.7836 118.1127 60.2995 38.9703 177.6140 8 I 3.5590 7.6490 112.8215 64.0803 37.1104 177.8444 9 K 3.7107 7.6741 121.2811 59.1769 31.7791 178.7591 10 F 4.0251 8.1142 118.0151 60.2670 39.0726 176.8763 11 L 4.0382 8.0691 119.0219 54.9170 42.0274 176.1606 12 E 3.6396 7.4665 116.8716 57.1743 26.7373 174.7487 13 L 4.3171 7.9538 118.5258 54.7777 42.6982 178.4023 14 E 4.5435 9.3221 124.4352 55.3117 31.5318 175.9759 15 Q 4.3891 8.7120 119.9489 56.2938 29.9740 175.3127 16 H 5.0232 9.0296 121.5739 54.0184 32.2724 175.9654 17 V 3.7294 7.8612 124.6359 64.5637 31.7118 177.4226 18 E 4.2345 8.4034 118.5135 56.8760 29.9703 176.5579 19 G 5.0355 7.8030 105.8906 44.5326 0.0000 173.4425 20 G 3.5863 8.0318 108.0571 45.3567 0.0000 172.0868 21 F 5.4989 7.5719 116.4837 56.0185 42.9660 173.8784 22 Y 5.3042 8.6569 117.0055 57.7304 42.0553 173.0552 23 R 4.0964 8.1427 114.4252 55.2196 33.3643 173.0499 24 S 4.2188 9.2115 122.5002 59.6122 62.3026 173.9925 25 S 4.3253 8.9990 122.9563 61.0698 63.3293 173.9898 26 Y 4.9104 7.8563 117.3977 55.6640 42.7443 173.5310 27 R 4.3174 8.3030 120.4725 54.1743 33.1295 174.6899 28 S 3.5994 6.4364 120.3848 58.5008 62.9152 173.7242 29 E 4.5305 8.5925 122.1465 56.2700 29.9139 175.8844 30 T 4.6030 7.7616 116.0341 61.6882 71.0728 173.2937 31 A 5.0647 8.2353 124.8611 49.7818 21.2417 174.4785 32 F 4.7429 8.0942 118.5215 58.1243 41.8629 175.2949 33 D 4.8609 7.6376 118.7161 51.8597 43.2910 175.8027 34 P 4.5779 0.0000 0.0000 63.8276 30.6740 177.0441 35 S 4.5128 7.7845 112.3295 59.2003 64.7566 174.8074 36 R 4.4353 7.5258 119.7455 54.2158 31.3836 175.8760 37 Q 4.6909 8.0467 118.8123 54.5455 30.8198 176.5046 38 L 4.2632 8.2017 122.2674 58.1194 42.7999 176.7627 39 W 5.7872 7.4300 112.9281 56.6085 30.9388 173.5963 40 S 4.9853 9.2496 115.2643 56.9057 65.8759 173.3037 41 S 5.1198 9.0816 115.8850 56.8912 66.3277 172.6631 42 I 5.1360 8.6209 118.8845 59.6827 41.9048 173.0015 43 Y 5.1682 8.2925 117.4243 56.3530 41.0090 175.2676 44 F 5.3152 9.1527 124.3919 56.5564 42.9825 173.0415 45 L 5.2328 8.0907 127.2119 53.1475 45.8837 174.8547 46 L 4.9963 8.8606 123.4567 53.1345 45.5825 176.4020 47 R 4.6569 8.6535 123.7907 54.9769 32.6825 176.6210 48 T 3.8934 9.0044 117.0917 67.1923 68.3773 176.1270 49 G 3.9085 8.1142 105.8338 46.1723 0.0000 172.5648 50 E 4.7940 7.5708 119.0978 54.9597 32.2189 175.5226 51 V 4.2951 7.8771 110.8324 61.0627 36.5034 172.5578 52 S 4.9205 8.5415 119.1330 56.9623 62.5986 173.1944 53 H 4.6519 8.7945 124.2577 55.5668 29.5268 175.5539 54 F 4.4769 9.1479 119.7158 58.2619 39.9078 174.3133 55 H 5.0625 8.3825 116.2253 54.9717 31.7718 172.2416 56 R 5.4238 9.0696 119.6481 53.6754 33.4026 174.1381 57 L 5.3982 8.6101 123.4542 53.3006 45.1887 176.7393 58 T 4.5135 8.6947 116.1363 62.9180 67.6552 173.4899 59 A 4.8628 7.7079 120.2393 50.7826 23.1490 175.6397 60 D 4.4987 8.6641 118.5563 54.8101 42.4565 175.7669 61 E 5.1006 8.4970 122.0806 54.3919 34.0381 173.4512 *63 W 4.9111 8.3837 117.4238 57.0360 31.0640 174.1611 64 Y 5.0407 9.1893 123.2061 55.8014 39.6085 175.0439 65 F 4.4387 9.6845 128.6413 59.1850 39.3604 174.2808 66 H 4.8114 7.9970 122.5042 56.9563 30.4557 174.5245 67 A 4.1074 6.6728 118.5149 52.7996 23.7175 175.8699 68 G 3.0836 8.7030 105.5860 46.0655 0.0000 173.5977 69 Q 4.3670 8.1180 122.0295 55.7291 29.4790 176.7887 70 S 4.6464 8.5717 116.5138 58.3422 64.4682 173.1040 71 L 5.1260 8.6055 120.4066 53.4089 45.5466 175.4574 72 T 4.6615 8.8577 117.7822 61.9157 71.3946 173.2387 73 I 4.5691 8.4391 128.1413 60.1379 39.1014 175.2970 74 Y 4.7472 8.4051 124.8259 56.4394 41.1903 174.7751 *76 I 4.2240 8.0092 119.7800 60.9823 38.5486 176.4128 77 S 4.3800 8.9611 122.8581 57.3625 63.6808 172.6341 78 P 4.9186 0.0000 0.0000 62.5724 30.7306 177.2875 79 E 4.5741 8.0501 112.7733 57.9376 33.0708 176.7520 80 G 3.8941 8.5520 108.0516 45.1599 0.0000 173.6191 81 E 4.0112 7.8239 121.8373 55.5969 29.8752 175.0393 82 L 4.5195 8.3737 128.7936 53.9231 43.1563 175.2448 83 T 4.7556 8.0546 114.7299 60.3372 72.1379 172.4209 84 T 4.6894 7.7471 109.4184 60.4946 71.5053 172.8394 85 A 4.3946 8.1379 123.7621 50.1682 22.9204 174.8309 86 Q 4.7552 8.1354 117.7467 53.8250 32.3967 174.2945 87 L 4.8048 9.6601 124.9814 52.1163 44.6838 176.4690 88 G 3.2498 7.8290 113.0460 46.0031 0.0000 173.1814 89 L 4.5508 7.5754 119.5373 54.3446 44.2562 177.0934 90 D 4.6089 8.0730 120.2974 52.8068 38.9701 176.3152 91 L 4.2431 8.1004 121.0788 56.3358 42.4450 178.8078 92 A 3.9684 7.6437 119.6714 54.7408 18.6391 177.3576 93 A 4.4749 7.9011 118.3899 50.9524 20.9174 178.3920 94 G 3.6357 8.3766 105.8482 46.2305 0.0000 173.6128 95 E 4.1657 8.0194 121.1014 55.9039 30.0443 175.9573 96 R 4.6652 8.1491 123.1614 54.0435 33.7375 174.0045 97 P 4.6061 0.0000 0.0000 63.4792 32.4729 175.5716 98 Q 5.5874 7.5561 116.8072 53.3380 33.0253 174.0676 99 F 4.4453 8.0621 119.0315 57.4469 42.2877 172.7451 100 L 4.5245 6.9305 127.2097 53.0683 43.8279 175.9550 101 V 3.8830 8.0094 128.1371 59.4195 32.8919 173.8846 102 P 4.8141 0.0000 0.0000 62.0344 32.2470 176.1785 103 K 4.0572 9.9260 124.3879 58.6693 32.7968 177.0891 104 G 4.0718 8.6187 109.7722 45.1230 0.0000 173.0147 105 C 4.7232 7.7832 113.4278 56.8073 33.0043 172.9853 106 I 4.9506 8.0166 120.6945 59.8654 37.5210 175.3764 107 F 6.0395 8.3388 122.4913 54.4457 41.3107 175.1021 108 G 4.3334 7.7674 105.7427 47.4486 0.0000 170.7720 109 S 5.2258 8.1213 109.9608 56.9883 65.6184 175.4131 110 A 4.6162 8.4270 130.3159 51.7620 23.1051 178.5734 *112 N 4.7419 9.1200 116.6065 55.2840 40.2206 172.9761 113 Q 4.5410 7.8401 117.7701 54.4182 31.9939 173.2314 114 D 4.6174 8.5082 123.2199 54.9078 42.3682 176.5854 115 G 4.1974 7.7972 105.8254 44.2991 0.0000 174.2164 116 F 5.2994 8.5071 119.7031 55.5328 42.3206 173.4995 117 S 4.4233 9.0664 112.8430 57.1546 66.1375 172.4804 118 L 5.0654 8.3164 129.4836 53.3622 44.8905 175.2898 119 V 4.7244 9.2584 125.2724 61.0384 36.1257 173.6621 120 G 4.3382 8.7237 107.6009 44.9333 0.0000 172.0713 121 C 4.7717 8.2576 123.6572 57.8165 32.2335 172.5806 *123 V 4.4560 8.0340 110.9208 62.2551 32.4350 175.9154 124 S 4.3107 8.9848 121.7262 60.4227 62.5710 171.1144 125 P 4.4333 0.0000 0.0000 63.6366 31.8811 175.6867 126 G 3.8919 8.8190 111.7233 44.5487 0.0000 172.8032 127 F 4.1902 9.0371 129.2054 58.5219 39.5791 173.9996 128 T 4.4700 6.9964 117.0213 59.7009 71.7069 174.2679 129 F 4.0643 8.4809 118.3386 58.5105 39.2680 176.2255 130 D 4.8553 7.6954 120.1541 54.5841 40.7269 176.1239 131 D 4.9930 7.7137 116.8308 53.6575 43.3239 174.6070 132 F 5.2671 8.1099 119.5199 56.6311 42.9781 173.9680 133 E 4.1614 7.9251 126.0078 54.9569 32.2615 174.1931 134 L 4.4508 8.0227 129.1975 54.3928 43.6621 175.4503 135 F 4.9898 8.3337 119.9416 55.3660 42.7762 175.4434 136 S 4.3639 8.7745 116.3375 58.0046 63.0664 174.9463 137 Q 4.1018 8.1913 125.6929 59.1271 29.0110 178.5390 138 E 4.0770 8.1488 119.0894 59.4761 29.5430 178.8464 139 A 4.0598 8.1178 118.6229 54.8362 18.3866 178.6170 140 L 4.2482 7.5873 115.4591 56.0266 42.0753 178.3223 141 L 4.3164 7.8568 118.5914 56.4613 41.6021 178.1486 142 A 4.1851 7.5772 117.0270 53.2330 19.0425 176.9977 *144 Y 5.2691 7.5598 115.0381 58.0064 39.1915 175.3881 145 P 4.5573 0.0000 0.0000 64.7409 32.3362 178.5271 146 Q 4.1142 8.1786 115.7882 58.3098 28.8588 176.4707 147 H 5.2948 7.9069 117.4438 54.7213 28.8922 176.0735 148 K 3.7895 7.9108 120.2591 59.4128 31.7298 176.6438 149 A 4.0622 7.8408 122.0415 55.4881 18.9338 179.6591 150 V 3.6826 7.7873 116.9108 64.8095 31.6044 178.0402 151 V 4.0475 8.0785 116.8329 64.4254 31.4001 176.7224 152 Q 4.4343 7.6486 115.9135 57.5716 29.4597 177.0135 153 K 4.2138 7.9375 119.8477 57.7582 32.4753 176.7729 154 L 4.7575 7.5463 118.5754 53.7492 43.2548 175.9984 155 S 5.0991 8.2312 112.2979 57.7901 66.5293 174.3506 156 R 4.8760 8.5700 122.4525 53.5290 32.9342 174.2563 157 P 4.4284 0.0000 0.0000 63.4281 32.1701 176.3231 158 E 4.1226 9.3466 118.5496 57.1470 30.0714 174.6717 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 2 Q 8.34 4.13 0.00 2.01 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 3 N 9.10 4.54 0.00 2.97 2.70 0.00 0.00 6.47 6.66 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 4 A 9.16 3.69 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 5 D 8.00 4.21 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.53 4.34 0.00 2.56 2.60 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 7 F 7.78 4.07 0.00 3.06 2.88 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 0.00 0.00 0.00 8 I 7.65 3.56 1.55 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 1.36 0.42 0.34 0.00 0.00 9 K 7.67 3.71 0.00 1.78 1.60 0.00 1.42 0.00 0.00 1.31 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.86 1.20 7.81 10 F 8.11 4.03 0.00 3.07 2.96 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 11 L 8.07 4.04 0.00 1.75 1.45 0.72 0.47 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 12 E 7.47 3.64 0.00 2.02 2.00 0.00 0.00 0.00 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 2.37 0.00 13 L 7.95 4.32 0.00 1.52 1.80 0.91 1.09 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 14 E 9.32 4.54 0.00 1.54 1.89 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 2.03 2.17 0.00 15 Q 8.71 4.39 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.50 0.00 16 H 9.03 5.02 0.00 3.35 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.86 3.73 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 0.64 0.00 0.00 0.96 0.00 0.00 18 E 8.40 4.23 0.00 2.36 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 19 G 7.80 5.04 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 20 G 8.03 3.59 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 0.00 0.00 0.00 21 F 7.57 5.50 0.00 2.90 2.96 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 22 Y 8.66 5.30 0.00 3.32 3.22 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 0.00 23 R 8.14 4.10 0.00 1.75 1.87 0.00 3.33 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.62 0.00 24 S 9.21 4.22 0.00 4.04 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 25 S 9.00 4.33 0.00 3.87 3.44 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 26 Y 7.86 4.91 0.00 3.26 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 27 R 8.30 4.32 0.00 1.66 1.58 0.00 3.22 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.00 28 S 6.44 3.60 0.00 2.72 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 29 E 8.59 4.53 0.00 1.98 1.92 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 2.19 2.28 0.00 30 T 7.76 4.60 4.30 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 1.27 0.00 0.00 31 A 8.24 5.06 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 32 F 8.09 4.74 0.00 3.05 3.13 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 33 D 7.64 4.86 0.00 2.83 2.53 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 34 P 0.00 4.58 0.00 2.03 2.07 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 35 S 7.78 4.51 0.00 3.98 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 36 R 7.53 4.44 0.00 2.03 1.92 0.00 3.36 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 37 Q 8.05 4.69 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 38 L 8.20 4.26 0.00 1.69 1.75 1.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.43 5.79 0.00 3.49 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 40 S 9.25 4.99 0.00 3.88 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 41 S 9.08 5.12 0.00 4.14 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 42 I 8.62 5.14 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.55 0.97 0.00 0.00 43 Y 8.29 5.17 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.15 5.32 0.00 2.95 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 45 L 8.09 5.23 0.00 1.67 1.45 0.82 0.47 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 46 L 8.86 5.00 0.00 1.69 1.59 1.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.65 4.66 0.00 2.15 1.97 0.00 3.28 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 48 T 9.00 3.89 4.31 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 1.36 0.00 0.00 49 G 8.11 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 50 E 7.57 4.79 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 2.53 2.60 0.00 51 V 7.88 4.30 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 0.59 0.00 0.00 0.72 0.00 0.00 52 S 8.54 4.92 0.00 4.24 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 53 H 8.79 4.65 0.00 3.17 3.46 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.15 4.48 0.00 3.12 2.95 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 55 H 8.38 5.06 0.00 2.79 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.07 5.42 0.00 2.17 2.13 0.00 3.20 0.00 0.00 3.45 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 57 L 8.61 5.40 0.00 2.03 1.92 1.41 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.69 4.51 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 1.29 0.00 0.00 59 A 7.71 4.86 1.21 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 0.00 0.00 0.00 60 D 8.66 4.50 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 5.10 0.00 2.22 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 2.32 2.31 0.00 *63 W 8.38 4.91 0.00 3.46 3.30 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 64 Y 9.19 5.04 0.00 2.85 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 65 F 9.68 4.44 0.00 3.10 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 66 H 8.00 4.81 0.00 3.02 3.16 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 6.67 4.11 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 68 G 8.70 3.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.12 4.37 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.34 0.00 70 S 8.57 4.65 0.00 3.96 3.72 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 71 L 8.61 5.13 0.00 1.68 1.78 1.38 0.94 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 72 T 8.86 4.66 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 0.53 0.00 0.00 73 I 8.44 4.57 1.31 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.47 0.68 0.00 0.00 74 Y 8.41 4.75 0.00 2.75 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 4.22 1.28 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.80 -0.32 0.00 0.00 77 S 8.96 4.38 0.00 4.10 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 78 P 0.00 4.92 0.00 2.24 2.21 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 79 E 8.05 4.57 0.00 1.91 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 2.23 2.39 0.00 80 G 8.55 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 81 E 7.82 4.01 0.00 1.99 1.80 0.00 0.00 0.00 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 2.23 0.00 82 L 8.37 4.52 0.00 1.23 1.55 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.05 4.76 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 1.17 0.00 0.00 84 T 7.75 4.69 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 0.63 0.00 0.00 85 A 8.14 4.39 -0.20 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 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 8.14 4.76 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 87 L 9.66 4.80 0.00 1.69 1.60 1.18 1.37 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 88 G 7.83 3.25 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 89 L 7.58 4.55 0.00 1.43 1.58 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.07 4.61 0.00 2.64 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 91 L 8.10 4.24 0.00 1.64 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.64 3.97 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 93 A 7.90 4.47 1.22 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 0.00 0.00 0.00 94 G 8.38 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.17 0.00 2.17 1.75 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 2.18 2.13 0.00 96 R 8.15 4.67 0.00 1.80 1.88 0.00 3.13 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 97 P 0.00 4.61 0.00 2.21 2.17 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 98 Q 7.56 5.59 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 99 F 8.06 4.45 0.00 2.86 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 0.00 100 L 6.93 4.52 0.00 1.34 1.04 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.01 3.88 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 -0.48 0.00 0.00 102 P 0.00 4.81 0.00 2.08 2.11 0.00 3.52 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 2.00 1.88 0.00 103 K 9.93 4.06 0.00 1.97 2.04 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.43 7.81 104 G 8.62 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 105 C 7.78 4.72 0.00 3.28 3.09 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 0.00 106 I 8.02 4.95 1.59 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.61 0.00 0.00 107 F 8.34 6.04 0.00 3.14 3.09 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 0.00 108 G 7.77 4.33 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 0.00 109 S 8.12 5.23 0.00 3.91 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 0.00 110 A 8.43 4.62 1.03 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 0.00 0.00 *112 N 9.12 4.74 0.00 2.64 2.92 0.00 0.00 6.47 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 0.00 113 Q 7.84 4.54 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 114 D 8.51 4.62 0.00 2.73 2.66 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 0.00 115 G 7.80 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.51 5.30 0.00 3.06 3.19 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 0.00 117 S 9.07 4.42 0.00 3.89 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 0.00 118 L 8.32 5.07 0.00 1.38 1.14 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 119 V 9.26 4.72 2.12 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 1.07 0.00 0.00 1.18 0.00 0.00 120 G 8.72 4.34 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 0.00 121 C 8.26 4.77 0.00 2.62 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 *123 V 8.03 4.46 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 1.30 0.00 0.00 1.10 0.00 0.00 124 S 8.98 4.31 0.00 3.92 3.68 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 0.00 125 P 0.00 4.43 0.00 1.88 1.76 0.00 3.70 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.47 0.00 126 G 8.82 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 0.00 127 F 9.04 4.19 0.00 2.95 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 0.00 128 T 7.00 4.47 4.16 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 1.22 0.00 0.00 129 F 8.48 4.06 0.00 3.03 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 0.00 130 D 7.70 4.86 0.00 2.62 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 0.00 131 D 7.71 4.99 0.00 2.42 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.11 5.27 0.00 2.80 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 0.00 133 E 7.93 4.16 0.00 1.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 134 L 8.02 4.45 0.00 1.67 1.50 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.33 4.99 0.00 2.92 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 0.00 136 S 8.77 4.36 0.00 3.90 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 0.00 137 Q 8.19 4.10 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 138 E 8.15 4.08 0.00 2.12 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 2.41 2.45 0.00 139 A 8.12 4.06 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 0.00 140 L 7.59 4.25 0.00 1.87 1.68 0.91 0.65 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 0.00 141 L 7.86 4.32 0.00 1.87 1.70 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.58 4.19 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 *144 Y 7.56 5.27 0.00 2.99 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 0.00 145 P 0.00 4.56 0.00 2.03 2.11 0.00 3.74 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.34 0.00 146 Q 8.18 4.11 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 7.06 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 147 H 7.91 5.29 0.00 3.26 3.30 0.00 5.83 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.91 3.79 0.00 1.83 1.75 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.54 7.81 149 A 7.84 4.06 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 0.00 150 V 7.79 3.68 2.14 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 0.98 0.00 0.00 0.83 0.00 0.00 151 V 8.08 4.05 2.31 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 0.89 0.00 0.00 0.88 0.00 0.00 152 Q 7.65 4.43 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 153 K 7.94 4.21 0.00 1.69 1.82 0.00 1.64 0.00 0.00 1.42 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.28 1.40 7.81 154 L 7.55 4.76 0.00 1.15 1.04 -0.10 0.63 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 0.00 155 S 8.23 5.10 0.00 4.20 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 0.00 156 R 8.57 4.88 0.00 1.76 1.84 0.00 3.15 0.00 0.00 3.39 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 157 P 0.00 4.43 0.00 2.19 2.08 0.00 3.95 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 2.01 2.01 0.00 158 E 9.35 4.12 0.00 2.10 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 2.26 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.