NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3861 8.3044 118.2001 54.9908 32.5281 174.2848 2 R 4.0365 8.8186 121.1888 55.2130 30.2403 174.7098 3 H 5.0737 9.4477 124.3143 54.6320 31.8729 173.4705 4 I 4.6684 8.1442 121.0019 59.6036 39.1715 176.9814 5 S 4.5717 8.9935 120.5580 57.1843 65.3711 173.5799 6 P 4.2998 0.0000 0.0000 65.8008 30.9918 178.7389 7 E 4.0338 8.1996 115.8920 59.6441 29.5125 178.9851 8 E 3.9699 8.3352 119.6387 58.8214 29.4380 179.0246 9 L 4.0257 8.2946 120.6757 58.2491 42.1061 179.1682 10 I 4.0211 8.0941 119.4884 64.5382 37.0218 178.3506 11 A 4.0064 8.3997 121.9600 54.9071 18.1847 179.4634 12 L 3.8524 8.5135 119.3175 58.4690 42.1121 178.5842 13 H 3.9402 8.1510 119.5623 58.7436 29.6832 176.9529 14 D 4.2210 8.3625 120.6029 57.3172 40.6096 178.6227 15 A 3.9762 8.2599 121.5922 55.0244 18.3045 179.2563 16 N 4.3764 8.1485 115.5400 56.8627 39.0093 176.9849 17 I 3.7971 7.7682 121.4740 64.6443 37.0114 178.3088 18 S 4.0337 7.8239 112.2171 61.4028 62.2892 175.8737 19 R 3.8073 7.9794 120.3949 58.7606 29.9021 177.0772 20 Y 4.6104 8.2383 114.3171 56.2884 39.5912 175.9319 21 G 3.8565 7.6370 105.9696 44.7361 0.0000 171.9000 22 G 4.0625 8.2521 104.1976 42.6818 0.0000 173.2367 23 L 4.1691 8.6757 123.0306 53.7428 42.1696 175.1003 24 P 4.4491 0.0000 0.0000 62.5816 32.4050 176.1066 25 G 4.0384 8.9238 105.4342 45.8255 0.0000 171.6657 26 M 4.8359 7.8742 117.5780 53.6450 34.6409 175.7336 *28 D 4.3468 8.2337 116.5157 54.0589 40.8899 174.6576 29 P 4.3104 0.0000 0.0000 65.0968 31.4983 178.1192 30 G 3.7145 7.9733 103.5772 47.1404 0.0000 175.7939 31 R 3.9498 7.8629 119.9481 58.7913 29.9116 178.7752 32 A 3.8543 7.4521 119.6621 55.2543 18.4260 179.3222 33 E 3.8841 8.1036 116.9811 59.1295 29.7854 178.7166 34 A 3.9394 7.7851 120.3962 55.2129 18.4238 179.7705 35 I 3.6285 8.1831 118.5433 64.6307 37.1546 178.8015 36 I 3.7705 7.8240 120.8171 64.2166 36.8329 178.6205 37 G 3.6281 8.1987 106.6409 47.9055 0.0000 175.6821 38 R 3.8088 8.0082 121.2905 58.8630 30.1113 178.5866 39 V 3.3752 7.8374 118.2924 66.2480 31.4727 178.1052 40 Q 3.8247 8.1675 117.6272 58.7929 28.4249 178.6408 41 A 4.0062 8.2332 122.1590 55.0000 18.3225 179.6801 42 R 3.8115 8.0563 117.3344 59.4979 30.1056 178.8478 43 V 3.5534 7.8177 117.8383 65.8867 31.3544 177.9142 44 A 3.9596 8.0850 120.3319 55.4524 18.1054 179.0656 45 Y 3.9149 8.5553 117.5192 60.6760 38.9421 176.5558 46 E 4.1817 8.6148 116.4455 55.5158 30.1537 175.8462 47 E 3.6885 7.4685 117.6631 57.3471 27.3524 176.2224 48 I 4.0673 8.0085 119.1988 61.2067 37.1599 176.6456 49 T 4.3605 8.3180 115.4013 61.6881 70.3240 174.7089 50 D 4.5698 7.9547 122.8327 53.6929 42.0540 176.2635 51 L 4.1789 8.5991 127.8441 58.0756 41.6749 179.4907 52 F 4.3879 8.0541 117.6175 60.2872 38.8456 177.4257 53 E 4.0151 8.5627 118.7659 59.1197 29.5097 178.9188 54 V 3.3970 7.9415 118.3135 65.9432 31.5405 177.6789 55 S 4.0551 8.4529 113.1254 61.7074 62.1082 176.2077 56 A 4.0490 8.2429 123.0590 55.3010 18.0658 179.8445 57 T 3.7709 7.8085 114.5538 66.8643 68.5338 176.5142 58 Y 3.9593 7.9581 118.6819 60.8834 37.8179 178.4559 59 L 4.0948 8.1580 121.3035 58.3605 42.2911 179.2482 60 V 3.5553 8.1123 118.1561 65.8202 31.2430 177.7747 61 A 3.9662 7.8184 119.4770 55.5742 18.5730 179.5128 62 T 4.0197 7.9630 113.9346 66.6283 68.3655 177.0143 63 A 3.9848 8.1866 122.0805 54.5778 18.4506 178.9194 64 R 4.2802 7.7540 113.3997 56.0621 30.5761 177.4185 65 G 3.7569 7.6560 108.6351 45.5721 0.0000 173.7947 66 Y 3.6609 7.3572 115.7756 59.0706 35.4944 171.8425 67 I 3.6626 8.0126 121.4552 63.3005 37.5599 176.6358 68 F 5.0195 7.8838 116.7780 55.1668 41.7197 175.3460 69 N 4.5349 8.8487 120.3096 56.4935 37.5497 174.7742 70 D 4.4853 8.2582 114.8634 53.9488 44.1466 174.0164 71 A 3.6812 8.6518 121.0682 53.4216 16.4057 179.9232 72 N 4.4495 7.7795 115.7572 57.9962 38.5768 177.2492 73 K 3.9094 7.9623 119.2438 59.5756 32.1641 179.3344 74 R 3.8560 7.9310 117.6655 59.6363 29.4987 179.1024 75 T 3.7714 8.1217 115.2794 66.4177 68.4064 176.2655 76 A 4.0582 8.4398 123.0791 55.3118 18.3904 179.5011 77 L 3.8967 8.0487 118.4450 58.4947 42.2526 178.9214 78 N 4.3557 8.3862 116.9204 56.2007 38.3483 177.6415 79 S 4.0748 8.4704 115.8819 61.2663 63.2925 176.2539 80 A 4.0071 8.1389 124.6075 55.0862 18.0750 179.6634 81 L 3.9656 7.9987 117.2722 57.3127 41.6003 179.2961 82 L 3.8239 8.3235 120.9826 58.0552 41.7009 178.6592 83 F 3.8653 8.3394 120.7877 61.2962 39.2506 177.0434 84 L 3.6523 7.7236 117.8756 57.7309 41.4187 179.5207 85 R 4.4091 7.8557 120.0362 59.0574 29.8033 178.7692 86 R 3.9479 7.9576 116.7657 58.1439 29.9135 177.6770 87 N 4.7268 7.0730 114.7543 52.5580 39.2420 175.6702 88 G 3.7924 7.8199 107.7707 45.3286 0.0000 173.9912 89 V 3.9027 7.3916 120.6861 61.3256 32.1086 174.9850 90 Q 4.3176 8.7168 128.9782 55.9967 29.3675 175.2960 91 V 3.5936 7.9415 118.4423 59.4803 34.2483 174.6987 92 F 4.9495 7.1779 115.2511 55.5634 40.4643 173.5263 93 D 4.6838 8.6701 121.0869 54.3938 42.1210 175.4186 94 S 4.7991 8.2243 117.1300 56.1749 65.4682 173.2445 95 P 4.4218 0.0000 0.0000 64.8649 31.4071 177.0274 96 E 4.3818 8.0338 116.5784 56.7208 30.4270 178.0476 97 L 3.9732 7.9928 120.1406 57.6085 41.5367 179.1385 98 A 3.9433 7.8796 120.1140 55.4699 18.4134 179.3737 99 D 4.2815 8.0285 116.9271 57.0583 40.8820 178.3812 100 L 3.9315 8.1042 121.2045 58.6623 41.9706 179.3814 101 T 3.8496 7.8268 115.2087 66.4810 68.3605 176.6648 102 V 3.6745 7.9923 120.5039 66.2684 31.5751 178.3404 103 G 3.6114 8.4316 105.2246 47.6422 0.0000 175.4393 104 A 4.2628 8.4910 124.3099 54.5147 18.2236 179.6778 105 A 3.9703 8.1824 118.6379 54.7638 18.5151 179.0153 106 T 4.3170 7.7073 105.8501 61.6251 69.5735 176.0723 107 G 3.9760 7.7836 109.7571 45.6211 0.0000 174.4420 108 E 4.1026 7.7424 118.5333 57.9561 29.7687 177.0001 109 I 4.4821 7.6810 120.3513 58.7595 39.8679 175.6392 110 S 4.4613 8.4200 120.5216 57.4246 65.2830 175.2384 111 V 3.5761 8.2525 121.1186 66.5192 31.1731 178.1216 112 S 4.1428 8.0489 114.1992 61.5773 62.6969 176.5879 113 S 4.0516 8.0860 115.8364 61.2530 62.1103 176.0527 114 V 3.5764 8.2006 121.2336 66.0953 31.1872 177.6238 115 A 4.2179 8.3129 120.5463 55.4401 18.1935 178.9753 116 D 4.2344 8.1850 116.3272 57.8149 41.2661 178.7147 117 T 3.7618 7.9618 115.9857 66.6589 68.4222 176.6065 118 L 3.8950 8.1622 121.2117 57.8779 41.6233 179.6502 119 R 2.5100 8.0932 118.8580 58.9756 29.6892 178.8538 120 R 3.7940 7.6980 117.0551 58.8737 30.0410 178.8813 121 L 3.9128 7.3170 118.0534 57.4146 41.7062 178.1993 122 Y 5.0324 7.4584 113.0993 57.8795 39.8199 176.1203 123 G 3.8015 7.8120 113.4554 45.7361 0.0000 173.3239 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 M 8.30 4.39 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 R 8.82 4.04 0.00 1.71 1.72 0.00 3.19 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 3 H 9.45 5.07 0.00 3.33 3.47 0.00 5.70 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.14 4.67 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.46 0.91 0.00 0.00 5 S 8.99 4.57 0.00 4.09 4.03 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 6 P 0.00 4.30 0.00 2.20 2.17 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 7 E 8.20 4.03 0.00 2.32 2.24 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 2.36 1.97 0.00 8 E 8.34 3.97 0.00 2.24 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 2.34 2.34 0.00 9 L 8.29 4.03 0.00 1.86 1.96 1.04 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.09 4.02 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 1.69 0.84 1.11 0.00 0.00 11 A 8.40 4.01 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 12 L 8.51 3.85 0.00 1.78 1.87 0.90 0.90 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 13 H 8.15 3.94 0.00 2.39 3.03 0.00 5.69 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 14 D 8.36 4.22 0.00 2.86 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 15 A 8.26 3.98 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 16 N 8.15 4.38 0.00 2.92 2.88 0.00 0.00 7.19 7.21 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 17 I 7.77 3.80 1.91 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 1.22 0.51 0.93 0.00 0.00 18 S 7.82 4.03 0.00 3.84 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 19 R 7.98 3.81 0.00 1.60 1.63 0.00 3.04 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 20 Y 8.24 4.61 0.00 3.06 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 G 7.64 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 0.00 0.00 0.00 22 G 8.25 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 0.00 0.00 0.00 23 L 8.68 4.17 0.00 1.65 1.64 0.96 1.30 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 24 P 0.00 4.45 0.00 2.12 2.00 0.00 3.75 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 25 G 8.92 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 26 M 7.87 4.84 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 *28 D 8.23 4.35 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.31 0.00 2.17 2.07 0.00 3.62 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 2.10 2.14 0.00 30 G 7.97 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 31 R 7.86 3.95 0.00 2.01 1.91 0.00 3.12 0.00 0.00 3.40 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 32 A 7.45 3.85 1.24 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 0.00 0.00 0.00 33 E 8.10 3.88 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 2.37 1.95 0.00 34 A 7.79 3.94 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 35 I 8.18 3.63 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.88 0.00 0.00 36 I 7.82 3.77 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.06 1.07 0.00 0.00 37 G 8.20 3.63 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 0.00 0.00 0.00 38 R 8.01 3.81 0.00 2.04 2.03 0.00 3.23 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 39 V 7.84 3.38 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 -0.04 0.00 0.00 0.70 0.00 0.00 40 Q 8.17 3.82 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.13 2.30 0.00 41 A 8.23 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.06 3.81 0.00 1.87 2.08 0.00 3.06 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 43 V 7.82 3.55 2.20 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 1.14 0.00 0.00 0.88 0.00 0.00 44 A 8.08 3.96 1.43 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 0.00 0.00 0.00 45 Y 8.56 3.91 0.00 2.92 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 46 E 8.61 4.18 0.00 2.12 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 2.42 2.47 0.00 47 E 7.47 3.69 0.00 1.98 1.96 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 2.20 2.14 0.00 48 I 8.01 4.07 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.48 0.93 0.00 0.00 49 T 8.32 4.36 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 1.28 0.00 0.00 50 D 7.95 4.57 0.00 2.80 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 51 L 8.60 4.18 0.00 1.30 1.46 0.74 1.07 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 52 F 8.05 4.39 0.00 3.30 3.33 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 53 E 8.56 4.02 0.00 2.19 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 0.00 2.37 1.93 0.00 54 V 7.94 3.40 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 0.40 0.00 0.00 0.97 0.00 0.00 55 S 8.45 4.06 0.00 4.20 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 0.00 56 A 8.24 4.05 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 57 T 7.81 3.77 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 1.05 0.00 0.00 58 Y 7.96 3.96 0.00 3.10 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 59 L 8.16 4.09 0.00 1.89 1.85 0.96 1.20 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 60 V 8.11 3.56 2.07 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 0.94 0.00 0.00 0.99 0.00 0.00 61 A 7.82 3.97 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 62 T 7.96 4.02 4.40 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 1.41 0.00 0.00 63 A 8.19 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.75 4.28 0.00 1.83 1.96 0.00 3.31 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 65 G 7.66 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 0.00 0.00 0.00 66 Y 7.36 3.66 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.01 3.66 1.20 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 1.22 0.34 -0.20 0.00 0.00 68 F 7.88 5.02 0.00 3.20 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 69 N 8.85 4.53 0.00 2.91 2.96 0.00 0.00 6.69 7.47 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 70 D 8.26 4.49 0.00 2.77 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 71 A 8.65 3.68 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 72 N 7.78 4.45 0.00 2.71 2.85 0.00 0.00 7.07 7.56 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 73 K 7.96 3.91 0.00 1.78 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.51 7.81 74 R 7.93 3.86 0.00 1.79 1.89 0.00 3.29 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 75 T 8.12 3.77 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 76 A 8.44 4.06 1.47 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 77 L 8.05 3.90 0.00 1.76 1.65 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.39 4.36 0.00 2.82 2.83 0.00 0.00 6.84 8.26 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 79 S 8.47 4.07 0.00 3.97 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 0.00 80 A 8.14 4.01 1.51 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 0.00 0.00 81 L 8.00 3.97 0.00 1.83 1.60 1.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.32 3.82 0.00 1.77 1.79 0.87 0.82 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 83 F 8.34 3.87 0.00 2.75 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 84 L 7.72 3.65 0.00 1.78 1.51 1.08 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.86 4.41 0.00 1.85 1.91 0.00 3.09 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.44 0.00 86 R 7.96 3.95 0.00 1.73 1.79 0.00 3.10 0.00 0.00 3.14 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 87 N 7.07 4.73 0.00 2.10 2.49 0.00 0.00 7.13 7.34 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 88 G 7.82 3.79 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 0.00 0.00 0.00 89 V 7.39 3.90 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 1.02 0.00 0.00 0.72 0.00 0.00 90 Q 8.72 4.32 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.57 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 91 V 7.94 3.59 1.39 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 0.39 0.00 0.00 0.74 0.00 0.00 92 F 7.18 4.95 0.00 3.13 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 93 D 8.67 4.68 0.00 2.75 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 94 S 8.22 4.80 0.00 3.98 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 95 P 0.00 4.42 0.00 2.09 2.11 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 96 E 8.03 4.38 0.00 1.98 1.96 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 2.35 2.25 0.00 97 L 7.99 3.97 0.00 1.74 1.73 1.07 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.88 3.94 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 99 D 8.03 4.28 0.00 2.70 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 0.00 100 L 8.10 3.93 0.00 1.86 1.91 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.83 3.85 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 102 V 7.99 3.67 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 1.01 0.00 0.00 0.99 0.00 0.00 103 G 8.43 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.26 1.38 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 0.00 0.00 105 A 8.18 3.97 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 0.00 106 T 7.71 4.32 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 1.29 0.00 0.00 107 G 7.78 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 0.00 108 E 7.74 4.10 0.00 2.25 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 2.34 2.15 0.00 109 I 7.68 4.48 1.95 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 1.35 1.29 0.91 0.00 0.00 110 S 8.42 4.46 0.00 4.05 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 0.00 111 V 8.25 3.58 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.92 0.00 0.00 112 S 8.05 4.14 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 0.00 113 S 8.09 4.05 0.00 3.91 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 0.00 114 V 8.20 3.58 2.24 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 1.09 0.00 0.00 0.97 0.00 0.00 115 A 8.31 4.22 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 0.00 116 D 8.18 4.23 0.00 2.79 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 0.00 117 T 7.96 3.76 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 1.15 0.00 0.00 118 L 8.16 3.89 0.00 2.02 2.12 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.09 2.51 0.00 1.51 1.80 0.00 3.00 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.11 0.00 120 R 7.70 3.79 0.00 1.83 1.88 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 121 L 7.32 3.91 0.00 0.92 0.13 0.53 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.46 5.03 0.00 3.19 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 0.00 123 G 7.81 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.