NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.8162 8.4449 120.3948 55.4878 29.9735 172.2036 1 M 3.8389 8.2980 123.1788 54.5201 32.5954 175.0759 2 A 4.2677 8.3698 125.1458 52.1799 20.4549 176.0841 3 G 3.4696 8.7558 109.4710 46.2354 0.0000 176.6093 4 L 3.0620 7.7316 121.8494 57.7388 42.0457 178.3195 5 E 2.5400 7.6306 118.7213 58.7036 29.3111 178.9343 6 V 3.3267 7.1074 117.6275 65.6024 31.7373 177.3044 7 L 3.5653 7.8136 121.2911 58.1092 41.5393 178.6378 8 F 3.8993 8.2075 118.8016 61.3673 39.6373 176.6228 9 A 4.1682 8.1793 120.6503 55.1342 17.9547 179.6215 10 S 4.1196 8.1904 111.9647 60.5454 63.1449 175.1186 11 A 4.7027 7.7668 124.0451 51.4889 19.6936 177.8908 12 A 3.7464 7.9576 124.5272 56.3777 18.3005 179.6051 13 P 4.2883 0.0000 0.0000 64.9481 31.4144 176.8191 14 A 4.2924 7.6100 119.9289 52.5608 19.3926 177.7932 15 I 4.1627 7.3842 116.8694 60.7979 35.4483 175.3316 16 T 4.4812 8.9960 114.7488 61.4436 69.2614 176.1873 *18 R 4.4248 7.9120 123.1368 57.0299 32.3122 177.9245 19 Q 4.0616 8.2135 116.5752 59.0231 28.7257 177.8222 20 D 4.6748 8.4459 119.1464 57.8671 40.9485 178.7259 21 A 4.3964 8.2255 120.1752 55.2893 18.3676 179.2049 22 L 4.0534 8.6055 119.0401 58.5769 42.2756 179.4782 23 V 3.5883 8.1174 118.3433 65.8581 31.3412 177.5582 24 C 3.8644 8.4038 118.6694 62.2852 31.6069 175.2044 25 F 3.9548 8.4471 122.1415 61.2791 38.9321 176.7246 26 L 4.0525 8.4307 120.0014 58.4693 41.8113 178.0108 27 H 4.0406 8.8173 118.5575 59.3807 29.6738 176.7682 28 W 4.2049 8.1930 129.6647 60.5627 30.5882 177.6824 29 E 3.8224 7.8640 118.0914 59.3340 28.3427 179.6439 30 V 3.2940 7.7732 118.3947 65.7265 31.5028 178.3076 31 V 3.8720 7.8506 119.7672 65.7658 31.1855 178.0943 32 T 3.5103 7.1397 108.0453 64.4272 68.2132 174.6535 33 H 4.7156 7.3894 117.6013 55.7818 29.2036 175.0195 34 G 3.8423 7.4485 110.4557 45.7133 0.0000 173.6230 35 Y 5.1486 6.8858 119.1594 55.4153 40.1586 175.0113 *37 G 3.6577 8.3329 110.4840 46.4767 0.0000 172.6203 38 L 4.6700 9.1313 119.7377 53.3479 45.3202 176.4328 39 G 4.3927 7.3724 106.6010 46.0597 0.0000 171.9491 40 V 4.5553 8.1587 119.9813 61.4676 33.2589 176.9211 41 G 4.1260 8.9748 107.6590 45.7872 0.0000 173.4441 42 D 4.6900 8.6207 119.5606 54.2100 40.3484 177.1029 43 Q 4.7213 7.5971 118.1837 52.3331 30.9142 178.5179 44 P 4.8955 0.0000 0.0000 61.4640 32.3012 175.4983 45 G 4.2015 8.6967 110.6356 43.1604 0.0000 171.2657 46 P 4.5843 0.0000 0.0000 63.1889 31.6643 176.7097 47 N 4.4012 7.9790 116.2573 55.4523 39.0034 173.9061 48 D 5.2324 8.1646 120.3631 54.9800 41.6518 175.9811 49 K 4.5755 8.3154 126.9746 52.6321 34.3306 172.7610 50 K 4.1231 8.9312 127.9803 56.3017 32.0707 175.5053 51 S 4.7568 9.0345 121.3187 56.2171 65.1441 174.0505 52 E 4.2384 9.0959 124.8087 59.1341 29.6407 177.8577 53 L 4.3236 8.0743 118.3709 53.7992 42.3675 176.7805 54 L 3.6159 7.9712 121.5180 54.0008 41.9982 175.8024 55 P 4.5231 0.0000 0.0000 61.5683 32.4528 175.2509 56 A 4.2376 8.3726 122.3584 53.6408 18.5189 177.7696 57 G 3.9178 9.1094 111.5257 45.8628 0.0000 175.5026 58 W 4.3387 8.1993 119.4629 58.1994 28.2416 176.4623 59 N 4.7189 6.8522 115.3658 52.1943 36.9738 175.6528 60 N 4.1916 7.8003 119.8340 56.0539 37.5484 174.3817 61 N 4.7625 7.5875 116.5171 51.7497 40.3026 173.9407 62 K 3.7046 8.4206 124.3217 56.6452 32.6942 177.0489 63 D 4.8055 8.3347 120.7472 54.3661 42.8618 176.3147 64 L 5.1957 7.5486 119.3973 53.5007 45.0035 175.3331 65 Y 4.7056 9.2381 124.3130 56.2567 40.6687 174.9668 66 V 4.9206 8.5774 123.2079 61.2605 34.5406 173.9135 67 L 5.3609 9.2273 127.6928 53.0096 46.1361 175.9345 68 R 5.2311 8.9535 121.0796 54.7745 33.5132 174.5002 69 Y 5.2101 9.6408 120.1074 56.3048 42.5348 173.9881 70 E 5.1949 8.9072 120.7632 54.3967 33.1800 173.9035 71 Y 3.5003 9.3515 130.6097 58.4456 39.3842 176.9126 *72 K 3.7535 8.6612 131.4846 59.5293 32.6407 176.9379 73 D 4.6599 7.2670 118.1987 53.0037 38.8201 181.3707 74 G 3.7710 7.9123 113.3476 48.5312 0.0000 175.8217 *75 S 4.3349 8.4422 110.3085 58.8224 61.7230 182.0392 76 R 4.2762 8.6444 123.4698 59.4037 30.5134 174.9046 77 K 5.2627 8.5997 120.2954 54.9541 36.1354 175.8107 78 L 5.2184 9.6582 125.1499 51.8398 45.6261 175.1199 79 L 4.9342 8.3259 123.7914 53.2408 44.7898 175.1190 80 V 4.5722 8.9458 126.3305 61.2052 34.2201 174.0158 81 K 5.1916 8.8583 127.9078 54.7253 34.6915 175.2042 82 A 5.1464 9.4939 127.4305 50.4467 21.4414 175.2002 83 I 4.7774 8.8194 124.6765 60.2406 39.7169 175.7058 84 T 4.5856 9.2315 125.9280 63.3706 69.5232 174.4637 85 V 4.3191 8.8616 127.9553 61.3911 34.1436 177.4072 86 E 3.8713 8.9731 129.7822 57.9693 28.3852 175.9626 87 S 4.6787 9.1286 123.7958 59.0820 63.7642 172.6904 88 S 5.0338 8.4452 117.4028 56.9155 67.1032 172.5452 89 M 5.3540 8.7853 119.2615 53.8523 35.8052 174.9632 90 I 4.7695 8.8857 123.7276 59.7738 39.8515 174.4899 91 L 5.0009 9.1108 127.6242 53.2966 43.7471 175.0374 92 N 5.8595 9.0655 122.6095 50.9926 41.6497 172.8855 93 V 4.8005 9.1919 127.3608 60.8581 34.5141 173.7923 94 L 5.4655 8.5917 129.7769 52.3364 44.4425 174.5424 95 E 4.6135 8.5987 127.3768 55.7464 30.1893 175.7049 96 Y 4.3188 8.4371 125.8640 61.5807 37.7720 178.9142 97 G 3.7013 8.5723 108.4001 48.5671 0.0000 174.9764 98 S 4.3743 8.0719 116.7674 59.2149 62.4185 177.7070 99 Q 3.5062 7.8417 117.0317 56.6573 26.5392 179.8357 100 Q 4.2342 8.8248 125.1576 57.0294 28.9809 180.0223 101 V 4.9215 8.3225 122.5761 60.6727 34.4977 174.5982 102 A 4.7593 8.6194 125.3808 50.6446 23.0172 175.0105 103 D 5.8500 8.5861 120.2862 51.6879 45.6497 174.5408 104 L 4.8260 8.2728 122.0958 54.1952 45.8513 173.9706 105 T 5.1294 8.5937 122.2945 61.7857 71.0058 173.5031 106 L 4.8831 8.8329 125.8253 52.8182 45.7134 175.6193 107 N 4.7747 9.0535 122.1578 52.5652 38.5297 175.3804 108 L 4.1726 8.2675 127.6171 57.4599 42.1978 179.7111 109 D 4.4873 8.1373 118.0388 56.6824 41.0107 177.2966 110 D 4.3976 7.8153 116.9821 55.3575 41.4005 176.4175 111 Y 4.8914 7.7733 114.9011 57.7544 40.7843 175.4341 112 I 5.0489 7.5879 117.3189 59.3416 41.4764 174.2290 113 D 4.9142 8.6355 124.9085 52.3582 42.5289 177.1655 114 A 4.1811 8.8641 129.1018 54.8137 18.7087 177.8724 115 E 4.2989 8.5002 114.1320 58.0488 30.1463 176.4906 116 H 5.0106 7.7161 115.6930 55.4049 29.7418 175.5081 117 L 4.2256 8.3142 120.5051 56.9084 41.9163 178.3726 118 G 3.9563 8.0827 105.5138 45.3579 0.0000 172.8771 119 D 4.8063 8.0417 120.1039 51.8992 42.5441 175.6202 120 F 3.5748 9.0701 129.9389 61.3735 39.4125 176.0880 121 H 3.9897 7.9147 116.3031 57.7512 28.7012 176.4152 122 R 4.2428 7.6398 115.9200 57.1261 31.0474 177.7469 123 T 3.7996 7.6316 115.6973 66.2740 68.4843 173.9071 124 Y 5.1270 7.3862 116.3767 56.4857 40.1387 174.7906 125 K 4.4366 8.8910 119.6432 57.9365 34.7992 177.8971 126 N 5.1667 7.9105 114.2583 51.7655 39.3006 176.0853 127 S 4.0729 8.3449 118.6626 62.6129 63.2157 176.4829 128 E 4.0109 8.1766 121.2461 60.5148 29.4146 180.5398 129 E 4.0763 8.1189 119.4070 59.2013 29.8597 178.1529 130 L 3.5406 8.0556 120.6472 58.2557 41.9262 178.9682 131 R 4.0373 8.1883 118.3962 59.4794 29.9959 178.4479 132 S 4.0251 7.9964 112.7936 61.4800 62.2918 175.9291 133 R 3.9141 8.7166 121.7527 59.7733 29.9486 179.1141 134 I 3.5682 7.9282 119.3146 64.1641 37.0688 178.7949 135 V 3.5234 7.8118 119.5018 65.6971 31.1635 178.3238 136 S 4.1108 8.1195 113.0724 61.5778 63.1055 176.0487 137 G 4.1075 8.6045 110.1304 46.6655 0.0000 173.2470 138 I 4.4220 7.3533 117.5013 62.8205 39.7599 177.0590 139 I 3.7802 7.7787 119.0203 64.8318 37.3176 177.6138 140 T 3.8724 8.2290 116.3789 66.3443 68.2882 171.7743 141 P 4.2039 0.0000 0.0000 63.5877 30.9895 177.0355 142 I 4.0627 7.8697 119.5838 60.1510 36.1783 172.5901 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 0 H 8.44 4.82 0.00 3.13 3.34 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.30 3.84 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 2 A 8.37 4.27 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 3 G 8.76 3.47 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 4 L 7.73 3.06 0.00 1.60 1.54 0.77 0.57 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 5 E 7.63 2.54 0.00 1.59 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 1.90 1.47 0.00 6 V 7.11 3.33 1.90 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 0.89 0.00 0.00 0.78 0.00 0.00 7 L 7.81 3.57 0.00 0.71 1.37 0.82 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.21 3.90 0.00 3.07 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 9 A 8.18 4.17 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 10 S 8.19 4.12 0.00 3.96 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 11 A 7.77 4.70 1.37 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 0.00 0.00 12 A 7.96 3.75 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.29 0.00 2.19 2.20 0.00 3.66 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 1.97 0.00 14 A 7.61 4.29 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 15 I 7.38 4.16 1.78 0.00 0.00 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 1.16 -0.05 1.05 0.00 0.00 16 T 9.00 4.48 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 1.20 0.00 0.00 *18 R 7.91 4.42 0.00 1.97 2.10 0.00 3.15 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 19 Q 8.21 4.06 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 20 D 8.45 4.67 0.00 2.81 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 21 A 8.23 4.40 1.37 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 0.00 0.00 22 L 8.61 4.05 0.00 1.78 1.71 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.12 3.59 2.09 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 0.83 0.00 0.00 0.29 0.00 0.00 24 C 8.40 3.86 0.00 3.16 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 25 F 8.45 3.95 0.00 3.51 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 26 L 8.43 4.05 0.00 1.87 1.73 0.85 0.88 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 27 H 8.82 4.04 0.00 3.35 3.58 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.19 4.20 0.00 3.36 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 29 E 7.86 3.82 0.00 2.08 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 2.33 2.55 0.00 30 V 7.77 3.29 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 -0.22 0.00 0.00 0.54 0.00 0.00 31 V 7.85 3.87 1.18 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 0.88 0.00 0.00 0.89 0.00 0.00 32 T 7.14 3.51 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 0.30 0.00 0.00 33 H 7.39 4.72 0.00 3.27 3.44 0.00 5.83 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.45 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 0.00 0.00 0.00 35 Y 6.89 5.15 0.00 3.29 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 *37 G 8.33 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 0.00 0.00 0.00 38 L 9.13 4.67 0.00 1.75 1.63 0.95 1.32 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 39 G 7.37 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 0.00 0.00 0.00 0.00 40 V 8.16 4.56 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 0.76 0.00 0.00 1.12 0.00 0.00 41 G 8.97 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 0.00 0.00 0.00 42 D 8.62 4.69 0.00 2.90 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 43 Q 7.60 4.72 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.16 1.90 0.00 44 P 0.00 4.90 0.00 2.02 2.01 0.00 3.62 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 45 G 8.70 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 46 P 0.00 4.58 0.00 2.19 2.17 0.00 3.77 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 1.96 1.98 0.00 47 N 7.98 4.40 0.00 2.73 2.93 0.00 0.00 7.01 8.06 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 48 D 8.16 5.23 0.00 2.68 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 49 K 8.32 4.58 0.00 1.50 1.57 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 0.96 7.81 50 K 8.93 4.12 0.00 2.03 1.83 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.03 7.81 51 S 9.03 4.76 0.00 3.85 3.67 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 52 E 9.10 4.24 0.00 2.14 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 0.00 2.38 2.40 0.00 53 L 8.07 4.32 0.00 1.61 1.58 0.93 0.92 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 54 L 7.97 3.62 0.00 0.99 0.28 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.52 0.00 2.26 2.17 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.90 0.00 56 A 8.37 4.24 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 57 G 9.11 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 0.00 0.00 0.00 58 W 8.20 4.34 0.00 3.62 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 59 N 6.85 4.72 0.00 2.34 1.42 0.00 0.00 6.06 8.04 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 60 N 7.80 4.19 0.00 2.62 2.80 0.00 0.00 6.45 6.82 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 61 N 7.59 4.76 0.00 2.54 2.46 0.00 0.00 7.20 6.75 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 62 K 8.42 3.70 0.00 1.75 1.85 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.34 7.81 63 D 8.33 4.81 0.00 2.59 2.70 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 64 L 7.55 5.20 0.00 1.68 1.47 0.98 0.89 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 65 Y 9.24 4.71 0.00 3.17 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 66 V 8.58 4.92 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 1.14 0.00 0.00 0.99 0.00 0.00 67 L 9.23 5.36 0.00 1.82 1.47 1.16 0.93 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 68 R 8.95 5.23 0.00 1.85 1.84 0.00 3.20 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 69 Y 9.64 5.21 0.00 2.74 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 70 E 8.91 5.19 0.00 2.12 1.84 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 2.39 2.42 0.00 71 Y 9.35 3.50 0.00 3.13 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 *72 K 8.66 3.75 0.00 1.74 1.68 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.40 1.30 7.81 73 D 7.27 4.66 0.00 2.60 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 74 G 7.91 3.77 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 0.00 0.00 0.00 *75 S 8.44 4.33 0.00 3.58 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 76 R 8.64 4.28 0.00 1.49 1.88 0.00 3.20 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.25 0.00 77 K 8.60 5.26 0.00 1.38 1.64 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.34 1.04 7.81 78 L 9.66 5.22 0.00 1.54 1.49 0.42 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.33 4.93 0.00 1.48 1.22 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.95 4.57 2.45 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 1.07 0.00 0.00 0.90 0.00 0.00 81 K 8.86 5.19 0.00 1.80 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.54 7.81 82 A 9.49 5.15 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 83 I 8.82 4.78 1.92 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 1.28 0.69 0.95 0.00 0.00 84 T 9.23 4.59 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 1.28 0.00 0.00 85 V 8.86 4.32 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 1.07 0.00 0.00 1.00 0.00 0.00 86 E 8.97 3.87 0.00 2.14 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 2.23 2.32 0.00 87 S 9.13 4.68 0.00 3.87 3.86 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 88 S 8.45 5.03 0.00 3.73 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 89 M 8.79 5.35 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 90 I 8.89 4.77 1.90 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 1.25 0.70 0.92 0.00 0.00 91 L 9.11 5.00 0.00 1.52 1.57 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.07 5.86 0.00 2.77 2.67 0.00 0.00 6.48 7.27 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 93 V 9.19 4.80 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 0.77 0.00 0.00 0.87 0.00 0.00 94 L 8.59 5.47 0.00 1.66 1.31 0.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.60 4.61 0.00 2.12 1.79 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 2.35 2.49 0.00 96 Y 8.44 4.32 0.00 3.00 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 97 G 8.57 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 0.00 0.00 0.00 98 S 8.07 4.37 0.00 3.66 3.83 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 99 Q 7.84 3.51 0.00 2.19 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 100 Q 8.82 4.23 0.00 1.60 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 101 V 8.32 4.92 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 0.96 0.00 0.00 0.90 0.00 0.00 102 A 8.62 4.76 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 0.00 103 D 8.59 5.85 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.83 0.00 1.69 1.42 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.59 5.13 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 1.24 0.00 0.00 106 L 8.83 4.88 0.00 1.54 1.53 0.76 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 107 N 9.05 4.77 0.00 2.74 2.78 0.00 0.00 7.19 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 0.00 108 L 8.27 4.17 0.00 1.94 1.78 0.98 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 0.00 109 D 8.14 4.49 0.00 3.03 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 0.00 110 D 7.82 4.40 0.00 1.89 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 0.00 0.00 0.00 111 Y 7.77 4.89 0.00 2.95 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 0.00 112 I 7.59 5.05 1.88 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 1.20 1.04 0.83 0.00 0.00 113 D 8.64 4.91 0.00 2.65 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.86 4.18 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 0.00 115 E 8.50 4.30 0.00 2.15 1.90 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 2.31 2.28 0.00 116 H 7.72 5.01 0.00 3.21 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.31 4.23 0.00 1.70 1.83 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 118 G 8.08 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 0.00 119 D 8.04 4.81 0.00 2.81 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 0.00 120 F 9.07 3.57 0.00 2.60 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 0.00 121 H 7.91 3.99 0.00 3.15 3.28 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 7.64 4.24 0.00 2.17 1.78 0.00 3.33 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.21 0.00 123 T 7.63 3.80 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 0.59 0.00 0.00 124 Y 7.39 5.13 0.00 2.85 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 0.00 125 K 8.89 4.44 0.00 1.84 1.76 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.34 7.81 126 N 7.91 5.17 0.00 2.80 2.83 0.00 0.00 6.77 7.57 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 0.00 127 S 8.34 4.07 0.00 4.13 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 0.00 128 E 8.18 4.01 0.00 2.00 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 2.31 1.93 0.00 129 E 8.12 4.08 0.00 2.07 2.29 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 2.47 2.42 0.00 130 L 8.06 3.54 0.00 1.23 1.34 0.05 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.19 4.04 0.00 2.24 2.17 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.08 0.00 132 S 8.00 4.03 0.00 3.97 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 0.00 133 R 8.72 3.91 0.00 1.71 1.97 0.00 3.37 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 134 I 7.93 3.57 1.93 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 1.35 0.90 0.86 0.00 0.00 135 V 7.81 3.52 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 0.85 0.00 0.00 0.93 0.00 0.00 136 S 8.12 4.11 0.00 4.06 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 0.00 137 G 8.60 4.11 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 0.00 0.00 0.00 138 I 7.35 4.42 1.98 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 1.25 0.92 0.80 0.00 0.00 139 I 7.78 3.78 1.85 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 1.32 0.33 0.88 0.00 0.00 140 T 8.23 3.87 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 1.21 0.00 0.00 141 P 0.00 4.20 0.00 2.00 2.07 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 142 I 7.87 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.