NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2547 8.2985 121.4668 56.2633 31.8212 177.7706 3 A 3.9330 7.9911 120.3496 54.2229 18.2012 174.4148 4 V 3.7150 8.5582 117.8133 66.0228 32.1395 176.4651 5 K 3.8741 8.0895 117.8128 59.9508 32.0411 179.2124 6 T 3.8821 8.1453 115.8077 66.4499 68.3116 176.4362 7 F 4.1447 8.3929 122.5044 61.5330 39.3904 176.6318 8 N 4.1478 9.0243 116.6245 56.6056 38.3802 177.4599 9 S 4.0850 7.9989 116.1515 61.6283 62.7226 176.6677 10 E 3.8786 7.6162 119.3671 59.2248 29.5928 178.8459 11 L 3.6877 7.3996 120.3615 58.2949 41.8995 178.4549 12 Y 4.0730 7.9480 118.0132 59.9807 38.8045 177.2414 13 S 4.9771 7.7915 115.5814 59.6657 63.2413 175.8083 14 L 4.1091 7.3016 125.0613 54.6183 41.2075 177.0124 *16 D 4.3190 7.9759 113.9137 53.9445 42.3975 175.5574 *18 K 4.2645 7.9936 118.6895 55.3554 33.1766 173.4106 19 P 4.4635 0.0000 0.0000 61.8184 31.9265 174.3287 20 P 4.5166 0.0000 0.0000 62.3558 32.2329 176.1631 21 I 4.0496 8.1737 122.0282 60.8335 37.8619 176.3365 22 S 4.3970 8.4072 119.0670 57.7706 63.8123 174.2898 23 K 3.9517 8.7711 121.3691 59.7751 32.3036 178.3781 24 A 4.1266 8.1491 121.1227 55.2658 18.5902 179.9432 25 K 3.9427 7.9275 115.4303 57.2815 31.9121 178.9152 *27 T 4.2969 8.1135 114.8545 63.3327 70.5537 176.1984 28 Q 4.0153 8.0660 120.1518 59.2428 28.6240 179.3867 29 I 3.7209 7.8413 120.4483 64.6690 37.1268 178.6857 30 T 3.9148 7.8981 116.0244 66.6327 68.3813 176.6283 31 K 3.9771 8.7879 120.4891 59.4460 31.9919 179.2002 32 A 4.0955 8.2003 120.7390 55.1503 18.1347 179.4781 33 A 3.7376 8.2798 118.1849 55.4097 18.8462 179.6062 34 I 4.0539 8.0100 118.3062 64.6610 37.0080 178.9225 35 K 4.2059 8.1716 117.8675 58.6873 31.9403 178.0381 36 A 4.7155 7.6491 120.1705 52.0893 18.8620 178.7767 37 I 3.6290 7.5943 122.7447 65.0607 38.2544 177.2195 38 K 3.7701 8.1202 120.4779 58.6031 32.3767 176.8380 39 F 5.0035 8.0142 118.0919 56.4694 39.4272 176.8664 40 Y 4.1248 8.0182 121.2877 60.2110 37.7047 177.8080 41 K 3.5362 6.8337 119.6477 59.5302 32.1135 178.8643 42 H 4.1636 8.1404 115.9932 58.5266 28.6580 177.8605 43 V 3.3755 7.7827 120.2248 65.9347 31.2783 178.2187 44 V 3.2511 7.7698 117.9193 65.9417 31.2286 177.6514 45 Q 3.9884 8.1112 119.2067 59.4472 28.8552 178.5333 46 S 4.3020 8.4566 116.2816 61.5462 62.8788 176.9469 47 V 3.8191 8.2380 120.9893 66.2130 31.4276 177.9232 48 E 4.1424 8.7498 118.6671 59.3324 29.2981 179.3266 49 K 3.9902 8.6516 120.0665 59.4131 32.3243 178.3909 50 F 4.0299 8.5159 121.0130 61.7032 39.0477 177.2651 51 I 3.7764 7.9776 117.8507 64.3135 36.9171 177.9376 52 Q 4.0771 8.1696 119.8096 58.6817 29.0000 177.6053 53 K 4.2949 7.6862 117.7596 56.5501 33.0705 176.9246 54 C 4.0767 6.9994 113.2670 57.0480 30.3829 173.6016 55 K 4.1556 8.2079 119.5501 55.6758 32.6292 176.3402 56 P 4.1872 0.0000 0.0000 66.0963 30.9809 178.5985 57 E 3.9821 8.0826 113.9561 58.4136 29.7755 177.4282 58 Y 4.5333 7.8868 117.1158 57.7073 38.3872 177.4027 59 K 3.8871 7.7275 121.0682 59.5545 32.2394 179.3199 60 V 3.1715 7.4689 117.8016 65.2837 31.4768 175.7333 61 P 4.3235 0.0000 0.0000 65.7960 31.0734 178.5471 62 G 3.7521 8.4273 104.2908 47.8727 0.0000 175.4634 63 L 3.8916 7.8309 122.8316 57.9973 42.0684 178.6103 64 Y 4.4439 8.2931 117.1854 60.9811 37.6642 178.5958 65 V 3.6233 8.0483 119.2683 66.2137 31.5248 178.1122 66 I 3.3361 7.5193 118.9807 64.2774 36.9394 177.7835 67 D 4.8054 8.5766 118.9725 57.7335 41.1339 178.3980 68 S 4.1374 8.7453 113.7970 61.3547 62.3478 176.0780 69 I 3.5841 8.0852 122.8708 64.3752 36.8261 178.5936 70 V 3.6383 8.0292 119.2061 66.2317 31.3771 178.3415 71 R 3.9573 8.1320 117.8271 59.0880 29.8013 178.8415 72 Q 3.9852 8.2220 119.5525 59.1886 29.0049 178.2020 73 S 4.4687 8.4309 114.3971 61.6395 62.6177 176.2825 74 R 4.1105 8.2867 120.8850 59.5815 29.5585 178.6007 75 H 4.1748 8.1090 117.1104 59.2423 29.9821 176.7158 76 Q 3.8891 8.2195 120.2974 57.7477 29.0650 176.2127 77 F 4.6204 8.5151 116.2857 56.4760 40.9983 176.4546 78 G 4.0460 8.0811 108.8068 45.3298 0.0000 174.7753 79 Q 3.9839 8.6401 121.5687 58.9025 28.8473 177.9963 80 E 4.1630 8.0499 114.7919 57.7779 29.9100 177.4452 81 K 4.1675 7.6785 116.5443 56.8444 32.9796 176.4415 82 D 4.2738 7.6650 118.6519 54.9533 41.3279 176.6512 83 V 3.5918 7.8657 118.8870 62.9827 32.6057 178.5783 84 F 4.1354 8.7647 119.4144 60.3759 38.8002 177.1930 85 A 3.8705 8.4124 120.3102 55.0030 17.8528 177.8565 86 P 4.2360 0.0000 0.0000 65.6711 31.7573 178.6269 87 R 4.0723 7.8439 117.6037 59.5823 29.8949 178.5721 88 F 4.5117 8.6432 116.7960 60.6122 39.0341 177.5246 89 S 4.4590 8.5704 113.9884 61.0527 62.5844 176.1316 90 N 4.3592 7.9080 119.2887 56.4250 38.5934 175.8417 91 N 4.9502 8.0838 112.9903 53.2360 39.1754 176.8517 92 I 3.9269 7.7111 122.2878 64.2014 37.8251 177.9377 93 I 3.7697 7.8490 120.3185 64.5668 37.1454 178.1212 94 S 4.1646 8.1421 113.3304 61.6112 62.2381 175.9777 95 T 3.9218 8.1629 118.4530 66.9616 68.2360 176.6013 96 F 3.7046 8.7166 119.4941 60.0973 38.6917 177.7450 97 Q 4.2000 8.2584 117.3895 59.3340 28.9457 178.6579 98 N 4.5141 8.1549 116.9687 56.2722 38.3878 177.5369 99 L 3.8406 7.8184 120.4882 57.7778 41.3963 178.4491 100 Y 4.6688 7.7643 113.4387 58.8533 37.7825 175.9185 101 R 4.5462 7.5892 118.9300 56.2360 30.5608 176.4906 102 C 4.4338 7.3894 113.1556 56.4610 30.9854 171.3821 103 P 4.3943 0.0000 0.0000 62.1837 31.6631 177.7923 104 G 3.8464 8.9419 110.1368 49.0758 0.0000 175.0543 105 D 4.5768 7.9892 116.1875 54.3280 39.9534 176.8091 106 D 4.6453 8.0296 119.9546 55.0385 41.3912 178.3801 107 K 4.1142 7.7810 120.5015 59.4244 32.0100 179.2273 108 S 4.2262 8.0627 113.9265 61.1900 62.8047 176.5469 109 K 4.0284 7.8387 121.9777 59.0847 31.7359 179.4066 110 I 3.5433 7.5942 119.8020 64.2792 37.1199 178.3503 111 V 3.6037 7.7311 118.8792 65.9205 31.3298 177.7144 112 R 3.8499 8.1208 118.5609 59.6047 29.7723 178.5494 113 V 3.3359 7.4353 117.3432 65.9024 31.5050 177.7984 114 L 3.8220 7.7236 118.6605 57.9920 41.4115 179.3700 115 N 4.4129 8.5760 116.6622 56.2655 38.3827 177.5047 116 L 4.0765 7.9797 120.4187 57.5915 41.6533 179.4518 117 W 4.5955 8.6107 119.3344 59.9522 29.1163 178.3431 118 Q 4.0370 8.4336 119.3009 59.1941 28.3826 177.9402 119 K 3.9525 8.2751 119.5950 59.2454 32.2526 177.4345 120 N 4.8132 8.2548 113.0356 51.7551 39.2146 174.3896 121 N 4.2598 7.9624 116.1682 54.3221 36.9351 176.1174 122 V 3.6043 8.3637 119.3059 64.9888 32.0079 175.7639 123 F 4.7683 7.7177 115.4170 54.7956 42.5828 174.8378 124 K 4.2037 8.4624 121.9398 56.3637 32.7617 178.4551 125 S 4.2043 8.8282 116.9057 61.4749 62.0703 176.4077 126 E 4.0120 8.1788 119.1663 59.3268 29.2818 178.8087 127 I 3.9691 7.5050 120.1329 64.1490 37.6091 178.0235 128 I 3.8246 7.6767 120.2496 64.1015 36.9826 177.8210 129 Q 3.9530 8.2043 120.5443 59.0779 28.6494 177.0972 130 P 4.2676 0.0000 0.0000 65.3079 31.3987 178.3153 131 L 4.1517 7.7019 117.0343 57.5786 41.8739 178.9970 132 L 4.2443 7.9241 118.9709 57.7329 41.5390 180.2624 133 D 4.2382 8.2627 118.4041 54.4381 41.1330 178.7457 *135 A 3.5332 8.0265 122.5518 52.0658 20.6845 179.8563 136 A 4.0291 7.8337 117.1323 55.2615 18.2322 179.6988 137 A 3.9960 8.2082 119.4341 55.2861 18.1788 179.8746 138 L 3.8987 7.2320 115.3719 57.7383 41.7425 178.9011 139 E 4.1326 7.7108 115.8892 57.7164 29.5574 176.6043 140 H 4.5076 7.7176 121.6729 55.7918 29.1507 173.9359 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 E 8.30 4.25 0.00 2.03 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 2.33 0.00 3 A 7.99 3.93 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 0.00 0.00 0.00 0.00 0.00 4 V 8.56 3.72 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 1.10 0.00 0.00 0.90 0.00 0.00 5 K 8.09 3.87 0.00 2.05 1.85 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 T 8.15 3.88 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 7 F 8.39 4.14 0.00 3.24 3.32 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 8 N 9.02 4.15 0.00 2.90 2.87 0.00 0.00 7.11 7.06 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 9 S 8.00 4.08 0.00 4.03 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 10 E 7.62 3.88 0.00 1.91 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 2.53 2.47 0.00 11 L 7.40 3.69 0.00 0.79 1.28 0.27 0.89 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 12 Y 7.95 4.07 0.00 3.05 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 13 S 7.79 4.98 0.00 4.09 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 14 L 7.30 4.11 0.00 1.61 1.80 0.50 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *16 D 7.98 4.32 0.00 2.90 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 *18 K 7.99 4.26 0.00 1.74 1.76 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.42 7.81 19 P 0.00 4.46 0.00 1.90 1.82 0.00 3.55 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 20 P 0.00 4.52 0.00 2.22 2.08 0.00 3.75 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 1.99 1.99 0.00 21 I 8.17 4.05 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.96 0.00 0.00 22 S 8.41 4.40 0.00 3.98 3.88 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 23 K 8.77 3.95 0.00 1.75 1.92 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.42 7.81 24 A 8.15 4.13 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 25 K 7.93 3.94 0.00 1.89 1.93 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 *27 T 8.11 4.30 4.43 0.00 0.00 0.00 0.00 0.00 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 28 Q 8.07 4.02 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 29 I 7.84 3.72 1.89 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 0.95 0.00 0.00 30 T 7.90 3.91 4.42 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 1.28 0.00 0.00 31 K 8.79 3.98 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.63 7.81 32 A 8.20 4.10 1.59 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 33 A 8.28 3.74 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 34 I 8.01 4.05 1.99 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.29 1.22 0.00 0.00 35 K 8.17 4.21 0.00 1.98 1.97 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.63 7.81 36 A 7.65 4.72 1.49 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 0.00 0.00 37 I 7.59 3.63 2.12 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.90 0.00 0.00 38 K 8.12 3.77 0.00 1.51 1.39 0.00 1.54 0.00 0.00 1.15 0.00 0.00 2.50 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.33 1.08 7.81 39 F 8.01 5.00 0.00 3.08 2.87 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 40 Y 8.02 4.12 0.00 2.10 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 41 K 6.83 3.54 0.00 1.45 1.56 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.94 0.21 7.81 42 H 8.14 4.16 0.00 3.33 3.36 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.78 3.38 2.35 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 0.32 0.00 0.00 0.71 0.00 0.00 44 V 7.77 3.25 1.93 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 0.74 0.00 0.00 0.30 0.00 0.00 45 Q 8.11 3.99 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 46 S 8.46 4.30 0.00 4.45 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 0.00 47 V 8.24 3.82 2.69 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 1.27 0.00 0.00 1.42 0.00 0.00 48 E 8.75 4.14 0.00 2.37 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 2.57 2.76 0.00 49 K 8.65 3.99 0.00 2.01 2.10 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 50 F 8.52 4.03 0.00 3.33 3.29 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 51 I 7.98 3.78 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.98 0.86 0.00 0.00 52 Q 8.17 4.08 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 53 K 7.69 4.29 0.00 1.78 1.76 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.57 7.81 54 C 7.00 4.08 0.00 2.56 1.85 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 55 K 8.21 4.16 0.00 1.94 1.79 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.44 7.81 56 P 0.00 4.19 0.00 2.10 2.10 0.00 3.58 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 2.15 0.00 57 E 8.08 3.98 0.00 1.81 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 2.17 1.91 0.00 58 Y 7.89 4.53 0.00 2.97 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 59 K 7.73 3.89 0.00 1.66 1.71 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.52 7.81 60 V 7.47 3.17 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 0.12 0.00 0.00 0.75 0.00 0.00 61 P 0.00 4.32 0.00 2.58 2.25 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 62 G 8.43 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 63 L 7.83 3.89 0.00 1.44 1.52 0.66 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.29 4.44 0.00 3.11 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 V 8.05 3.62 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 1.24 0.00 0.00 0.93 0.00 0.00 66 I 7.52 3.34 2.07 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.58 0.21 0.00 0.00 67 D 8.58 4.81 0.00 3.15 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 68 S 8.75 4.14 0.00 4.00 3.88 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 69 I 8.09 3.58 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.59 0.03 0.00 0.00 70 V 8.03 3.64 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 0.71 0.00 0.00 1.13 0.00 0.00 71 R 8.13 3.96 0.00 2.01 2.00 0.00 3.26 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 72 Q 8.22 3.99 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 73 S 8.43 4.47 0.00 4.25 4.26 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 74 R 8.29 4.11 0.00 2.05 1.97 0.00 2.97 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 75 H 8.11 4.17 0.00 3.19 3.56 0.00 5.94 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.22 3.89 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 77 F 8.52 4.62 0.00 3.15 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 78 G 8.08 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 0.00 0.00 0.00 79 Q 8.64 3.98 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 80 E 8.05 4.16 0.00 1.93 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 2.28 2.25 0.00 81 K 7.68 4.17 0.00 1.96 1.83 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 82 D 7.67 4.27 0.00 2.69 2.71 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 83 V 7.87 3.59 0.67 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 0.13 0.00 0.00 -0.33 0.00 0.00 84 F 8.76 4.14 0.00 3.28 3.31 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 85 A 8.41 3.87 0.70 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 0.00 0.00 86 P 0.00 4.24 0.00 1.98 2.11 0.00 3.64 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 87 R 7.84 4.07 0.00 2.07 2.02 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 88 F 8.64 4.51 0.00 3.42 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 89 S 8.57 4.46 0.00 4.24 4.56 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 90 N 7.91 4.36 0.00 2.89 2.98 0.00 0.00 6.93 7.84 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 91 N 8.08 4.95 0.00 3.05 2.89 0.00 0.00 6.64 7.49 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 92 I 7.71 3.93 2.11 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.95 0.00 0.00 93 I 7.85 3.77 1.93 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 1.56 0.73 0.98 0.00 0.00 94 S 8.14 4.16 0.00 3.95 4.08 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 95 T 8.16 3.92 4.64 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 1.20 0.00 0.00 96 F 8.72 3.70 0.00 3.15 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 97 Q 8.26 4.20 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 98 N 8.15 4.51 0.00 2.94 2.83 0.00 0.00 7.05 6.35 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 99 L 7.82 3.84 0.00 1.15 1.14 -0.40 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.76 4.67 0.00 3.07 2.91 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 0.00 101 R 7.59 4.55 0.00 1.98 1.93 0.00 3.17 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 102 C 7.39 4.43 0.00 3.00 2.97 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 0.00 103 P 0.00 4.39 0.00 2.34 1.98 0.00 3.70 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 2.04 2.03 0.00 104 G 8.94 3.85 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 0.00 0.00 0.00 105 D 7.99 4.58 0.00 2.78 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 0.00 106 D 8.03 4.65 0.00 2.91 2.64 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 0.00 107 K 7.78 4.11 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.50 7.81 108 S 8.06 4.23 0.00 4.05 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 0.00 109 K 7.84 4.03 0.00 1.91 1.89 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.47 7.81 110 I 7.59 3.54 2.05 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.74 0.00 0.00 111 V 7.73 3.60 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 1.03 0.00 0.00 1.07 0.00 0.00 112 R 8.12 3.85 0.00 2.04 2.08 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 113 V 7.44 3.34 1.87 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 -0.08 0.00 0.00 1.01 0.00 0.00 114 L 7.72 3.82 0.00 1.87 1.69 0.97 0.25 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 0.00 115 N 8.58 4.41 0.00 2.83 2.89 0.00 0.00 7.06 6.45 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 0.00 116 L 7.98 4.08 0.00 1.90 1.82 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.61 4.60 0.00 3.59 3.34 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 0.00 118 Q 8.43 4.04 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.28 3.95 0.00 1.97 2.04 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.53 7.81 120 N 8.25 4.81 0.00 2.93 2.87 0.00 0.00 7.18 8.34 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 0.00 121 N 7.96 4.26 0.00 2.88 2.89 0.00 0.00 6.85 7.45 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 0.00 122 V 8.36 3.60 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 0.31 0.00 0.00 1.04 0.00 0.00 123 F 7.72 4.77 0.00 2.96 2.87 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 0.00 124 K 8.46 4.20 0.00 1.85 1.77 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.39 7.81 125 S 8.83 4.20 0.00 3.93 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 0.00 126 E 8.18 4.01 0.00 2.18 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 2.31 2.44 0.00 127 I 7.50 3.97 2.13 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 1.60 0.92 0.91 0.00 0.00 128 I 7.68 3.82 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.66 1.00 0.00 0.00 129 Q 8.20 3.95 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 130 P 0.00 4.27 0.00 2.05 2.10 0.00 3.81 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 2.03 2.18 0.00 131 L 7.70 4.15 0.00 1.50 1.21 0.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.92 4.24 0.00 1.89 1.72 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.26 4.24 0.00 2.81 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 *135 A 8.03 3.53 1.35 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 0.00 0.00 136 A 7.83 4.03 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 0.00 137 A 8.21 4.00 1.35 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 0.00 0.00 138 L 7.23 3.90 0.00 1.69 1.63 0.40 0.85 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 0.00 139 E 7.71 4.13 0.00 1.92 1.87 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 2.49 2.42 0.00 140 H 7.72 4.51 0.00 3.02 3.15 0.00 5.88 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 * Residues marked with a * may have inaccurate shift predictions.