NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 F 4.5637 8.4245 119.0075 56.5762 39.7617 174.7947 3 S 4.6441 8.2844 121.2584 54.7466 64.3001 170.3970 4 A 4.1708 8.5175 125.7358 52.3769 19.7381 178.2350 5 K 4.0383 8.5011 122.7325 54.7354 31.9315 176.9570 6 K 4.7472 8.1270 122.1069 53.8891 35.7857 175.8376 7 L 4.1803 8.1895 119.5057 54.3676 42.2926 178.2079 8 S 4.3798 8.3377 116.8051 57.4770 65.1548 173.4975 9 P 4.1665 0.0000 0.0000 65.8590 31.1095 178.4533 10 A 3.9812 8.0985 118.8702 55.7314 18.1790 179.3788 11 D 4.3300 7.9312 116.6874 57.1431 40.7717 179.2072 12 K 3.9469 8.2770 119.2959 59.4562 32.0155 179.2763 13 L 3.9471 8.0534 119.3159 57.5925 41.5200 179.3998 14 K 3.8839 8.1242 119.4414 59.8191 31.9233 178.5934 15 N 4.3518 8.0346 115.1474 56.2270 38.4983 177.2470 16 I 3.8420 7.8651 120.6749 64.5068 37.4475 178.2603 17 S 4.3441 8.3169 116.2232 61.5597 62.7476 177.4318 18 S 4.2069 7.9844 112.3925 59.1580 61.9767 175.6081 *20 L 4.2597 7.8618 121.7648 54.2948 43.5384 178.8477 21 E 3.9647 8.4428 119.0370 58.8947 29.1411 178.4657 22 E 3.9240 7.8012 118.4886 59.4321 30.0573 178.5983 23 I 3.8549 7.6983 119.2710 64.2483 36.9818 178.3000 24 V 3.5846 7.5377 118.1827 65.9685 31.4744 177.1771 25 E 4.5245 7.9831 114.5792 55.6100 29.7297 175.9307 26 D 4.6169 7.7079 121.2310 53.2108 40.8448 176.9307 27 T 4.0570 8.4188 117.8280 63.8645 69.1696 175.3139 28 T 4.2294 8.1275 111.4385 61.9427 69.1806 174.3132 29 V 4.3433 7.1594 122.7331 60.3542 33.4550 174.0258 30 P 4.2774 0.0000 0.0000 63.3166 32.8884 177.6913 31 R 3.9829 8.7026 120.5274 59.4284 30.0283 179.1055 32 N 4.3405 8.1385 116.3319 55.7150 37.3326 177.2278 33 I 3.8480 7.6301 121.6792 63.9635 37.4777 177.9926 34 R 3.9050 7.9870 118.7494 59.3879 29.8756 178.9747 35 A 3.9486 8.3542 120.4086 55.0228 18.3497 179.4482 36 A 3.9019 8.0564 119.1478 55.3518 18.5709 179.7420 37 A 3.9659 8.0968 119.0726 54.8787 18.3134 179.3527 38 D 4.2424 7.7715 116.6735 57.2518 41.3145 178.0523 39 N 3.8911 8.3093 117.2784 56.1033 38.2366 177.2044 40 A 4.0323 7.7890 122.0018 54.9630 18.2674 179.5568 41 K 3.9068 7.6079 116.6689 59.8976 32.7266 178.5690 42 N 4.4954 8.4983 116.7274 55.9838 38.4531 177.1282 43 A 4.1091 8.1663 122.4708 55.3472 18.2127 179.6188 44 L 4.1042 7.6975 116.2116 57.0703 41.6066 178.3306 45 H 5.0353 7.5317 114.1496 54.7125 30.2137 175.4223 46 N 4.6638 7.8520 121.5453 52.8577 37.4873 174.8857 47 E 4.2460 8.2861 122.9922 56.8160 30.0192 177.8943 48 E 4.0549 8.0608 120.4707 58.1974 29.9148 176.6924 49 Q 4.7029 7.7009 116.0664 53.8138 31.4731 175.6315 50 E 4.3311 8.2812 119.3495 55.6173 31.7255 178.1188 51 L 3.9765 8.3722 120.2271 58.1733 41.6342 179.8737 52 I 3.6695 7.7287 119.0978 64.5241 37.0422 178.5260 53 V 3.6020 7.6986 118.4123 66.0127 31.4549 178.1128 54 R 3.9371 8.0014 117.8782 59.2399 29.8765 179.1800 55 S 4.1086 8.3538 114.9117 61.6249 62.8132 176.6175 56 A 4.0318 7.9712 123.3523 55.4686 18.1026 179.7821 57 T 3.7387 8.2084 114.1542 66.7176 68.4063 176.7458 58 A 4.2269 8.2397 122.6546 55.2844 18.4421 179.6905 59 I 3.6873 8.2702 118.7946 64.4817 37.0785 178.3700 60 Q 3.8904 8.4142 120.6917 59.4702 28.6336 177.7480 61 Y 4.1686 7.8295 117.6538 61.4351 37.8121 179.0477 62 L 4.1228 7.9250 119.4500 57.8212 41.5712 179.2429 63 D 4.4034 8.5526 118.3771 57.4524 40.8101 178.2158 64 D 4.4886 8.2460 118.9169 57.0390 41.2636 177.9223 65 I 4.0968 7.6077 117.6376 62.0273 37.9829 177.5094 66 S 4.2001 7.5926 113.6228 61.1622 63.0634 174.5571 67 E 4.2499 7.9989 119.6808 55.9787 29.6462 175.1715 68 D 4.4632 7.7034 118.6837 54.1564 41.4051 174.4962 69 P 4.2772 0.0000 0.0000 64.8371 31.6994 176.1473 70 N 4.4920 7.7186 117.0411 51.6790 37.7477 173.1185 *72 P 4.2384 0.0000 0.0000 61.6843 34.1325 177.2524 73 I 3.7203 8.2792 122.2915 65.0024 37.1219 178.3332 74 H 4.2285 8.3063 115.1928 59.1860 28.2004 177.5232 75 T 3.7537 7.4140 117.9964 66.1410 68.3248 176.2683 76 R 3.9259 8.0390 120.6041 59.9032 30.0279 178.7194 77 T 4.1407 7.9502 115.1708 66.7661 68.4865 176.7079 78 Q 4.0369 8.1518 119.9882 59.1528 28.7764 179.0553 79 I 3.7851 8.2393 121.2205 63.9259 37.0316 178.1189 80 W 4.4876 8.5419 129.5155 60.5913 30.4780 178.2446 81 G 3.2312 8.0728 105.4481 47.7161 0.0000 175.7457 82 I 3.6559 7.7373 122.4655 63.9522 37.1317 178.7161 83 V 3.5775 8.2530 119.4018 66.0864 31.1647 177.9743 84 S 4.0738 7.8399 113.7556 61.8693 63.0183 176.4736 85 E 4.0473 7.9944 120.8840 59.3927 29.3138 179.2595 86 L 4.0003 8.2804 119.4236 58.0349 41.4453 179.4976 87 E 4.1017 8.1933 117.5840 58.8610 29.4649 178.5510 88 T 4.4513 7.4777 107.9163 61.8722 69.6102 175.1700 89 I 3.9826 7.2708 122.9843 61.1732 35.9932 176.0651 90 K 4.1341 8.1366 123.6344 57.0547 32.2200 176.2778 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 F 8.42 4.56 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.28 4.64 0.00 3.69 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 4 A 8.52 4.17 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 5 K 8.50 4.04 0.00 1.79 1.64 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 6 K 8.13 4.75 0.00 1.78 1.75 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 L 8.19 4.18 0.00 1.64 1.63 0.90 0.86 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 8 S 8.34 4.38 0.00 4.04 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 9 P 0.00 4.17 0.00 2.17 2.14 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 10 A 8.10 3.98 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 11 D 7.93 4.33 0.00 2.89 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 12 K 8.28 3.95 0.00 1.91 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.69 7.81 13 L 8.05 3.95 0.00 1.81 1.68 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.12 3.88 0.00 1.98 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.50 7.81 15 N 8.03 4.35 0.00 2.95 2.84 0.00 0.00 7.15 7.07 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 16 I 7.87 3.84 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.57 0.91 0.00 0.00 17 S 8.32 4.34 0.00 3.99 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 18 S 7.98 4.21 0.00 3.89 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 *20 L 7.86 4.26 0.00 1.95 1.73 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.44 3.96 0.00 2.18 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 0.00 2.30 2.47 0.00 22 E 7.80 3.92 0.00 2.17 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 2.34 2.36 0.00 23 I 7.70 3.85 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.64 0.91 0.00 0.00 24 V 7.54 3.58 2.21 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 0.84 0.00 0.00 1.11 0.00 0.00 25 E 7.98 4.52 0.00 1.99 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 2.31 2.55 0.00 26 D 7.71 4.62 0.00 2.93 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 27 T 8.42 4.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 T 8.13 4.23 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 1.21 0.00 0.00 29 V 7.16 4.34 2.19 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 0.81 0.00 0.00 0.95 0.00 0.00 30 P 0.00 4.28 0.00 2.28 2.00 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 31 R 8.70 3.98 0.00 1.85 1.99 0.00 3.13 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 32 N 8.14 4.34 0.00 2.93 3.09 0.00 0.00 6.29 7.80 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 33 I 7.63 3.85 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 0.92 0.00 0.00 34 R 7.99 3.91 0.00 2.03 1.98 0.00 3.39 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 35 A 8.35 3.95 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 36 A 8.06 3.90 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.10 3.97 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 38 D 7.77 4.24 0.00 2.88 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 39 N 8.31 3.89 0.00 2.17 1.42 0.00 0.00 6.89 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.79 4.03 1.44 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 0.00 0.00 41 K 7.61 3.91 0.00 1.92 1.98 0.00 1.97 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.50 7.81 42 N 8.50 4.50 0.00 2.69 2.83 0.00 0.00 6.93 8.83 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 43 A 8.17 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.70 4.10 0.00 1.74 1.62 0.92 1.02 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 45 H 7.53 5.04 0.00 3.11 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.85 4.66 0.00 2.89 2.83 0.00 0.00 7.24 7.90 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 47 E 8.29 4.25 0.00 2.01 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 2.46 0.00 48 E 8.06 4.05 0.00 2.02 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 2.33 2.29 0.00 49 Q 7.70 4.70 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 50 E 8.28 4.33 0.00 2.01 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 2.39 2.39 0.00 51 L 8.37 3.98 0.00 1.68 1.72 0.91 0.71 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 52 I 7.73 3.67 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 1.52 0.82 0.91 0.00 0.00 53 V 7.70 3.60 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 1.14 0.00 0.00 0.93 0.00 0.00 54 R 8.00 3.94 0.00 2.06 2.07 0.00 3.17 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 55 S 8.35 4.11 0.00 4.01 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 56 A 7.97 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.21 3.74 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 58 A 8.24 4.23 1.48 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 0.00 0.00 0.00 59 I 8.27 3.69 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.72 0.93 0.00 0.00 60 Q 8.41 3.89 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.47 0.00 61 Y 7.83 4.17 0.00 3.27 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 62 L 7.93 4.12 0.00 1.85 1.76 0.96 1.48 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 63 D 8.55 4.40 0.00 2.66 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 64 D 8.25 4.49 0.00 2.83 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 65 I 7.61 4.10 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.27 1.03 0.00 0.00 66 S 7.59 4.20 0.00 4.01 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 67 E 8.00 4.25 0.00 1.93 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 2.26 2.35 0.00 68 D 7.70 4.46 0.00 2.89 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 69 P 0.00 4.28 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.78 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 70 N 7.72 4.49 0.00 2.83 2.85 0.00 0.00 6.96 7.89 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 *72 P 0.00 4.24 0.00 2.11 2.07 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.20 0.00 73 I 8.28 3.72 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.10 0.93 0.00 0.00 74 H 8.31 4.23 0.00 3.37 3.57 0.00 5.46 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 75 T 7.41 3.75 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 1.18 0.00 0.00 76 R 8.04 3.93 0.00 2.00 2.12 0.00 3.07 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 77 T 7.95 4.14 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 1.41 0.00 0.00 78 Q 8.15 4.04 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 79 I 8.24 3.79 2.05 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 1.44 0.54 0.97 0.00 0.00 80 W 8.54 4.49 0.00 3.35 3.43 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 81 G 8.07 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.74 3.66 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 0.91 0.00 0.00 83 V 8.25 3.58 2.21 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 1.09 0.00 0.00 1.04 0.00 0.00 84 S 7.84 4.07 0.00 3.69 3.69 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 0.00 0.00 0.00 0.00 85 E 7.99 4.05 0.00 2.11 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 2.24 2.36 0.00 86 L 8.28 4.00 0.00 1.87 1.73 0.94 0.80 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 87 E 8.19 4.10 0.00 2.10 2.02 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 2.35 2.56 0.00 88 T 7.48 4.45 4.22 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 1.22 0.00 0.00 89 I 7.27 3.98 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.79 0.90 0.00 0.00 90 K 8.14 4.13 0.00 1.80 1.70 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.