NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.8076 8.3027 117.8332 55.3114 30.4858 173.9155 3 K 3.7859 8.5590 121.5959 59.5343 32.2189 177.3467 4 D 4.3441 8.9304 119.9334 57.3660 41.0977 178.1543 5 E 4.0056 8.1224 118.8012 59.2487 29.5183 178.8643 6 L 3.9948 8.0074 120.4726 58.0185 42.0586 179.0154 7 L 3.9309 8.1916 119.2620 57.8885 41.5723 179.3617 8 E 3.9823 8.1098 118.1724 59.0854 29.0986 179.2730 9 L 3.9220 7.7913 119.7747 58.3664 42.3100 178.0255 10 H 4.3215 8.2799 117.1891 59.3044 30.0763 176.2671 11 E 4.0760 8.5001 121.3452 59.2944 29.5086 180.1987 12 Q 3.9846 8.0003 118.5354 55.8627 28.7905 178.5532 *14 V 3.7339 7.8535 121.3139 62.9366 33.7117 176.8911 15 N 4.2655 7.9702 117.2488 56.1439 38.2478 177.3454 16 I 3.6214 7.8641 121.3186 64.2164 37.2036 178.0767 17 K 3.3601 7.7611 119.8181 59.7399 31.5568 178.2420 18 D 4.2309 7.8388 117.6041 57.1133 40.9839 178.0996 19 Q 3.9019 8.0446 120.1690 59.1864 29.0230 178.2301 20 F 3.2114 8.3212 121.6521 61.2081 39.2505 177.0945 21 L 4.3404 8.0596 116.7061 56.8871 41.4691 178.7704 22 G 3.7802 7.3024 103.9661 44.6354 0.0000 173.7625 23 F 4.8818 7.3191 120.4009 56.4407 39.9213 174.5184 24 D 4.3884 8.5556 121.6798 56.0312 41.9637 175.7727 25 H 3.9208 8.5981 122.9139 57.1886 26.1990 173.8060 26 V 4.2189 7.0598 110.6847 59.2210 34.7353 176.0747 27 D 4.5925 8.4835 121.0908 53.6543 40.4198 176.5708 28 E 4.3603 8.8283 125.2763 58.0515 30.2753 177.4032 29 T 4.4596 8.3138 109.8372 61.3726 69.1796 176.2737 30 A 3.8524 7.9350 126.7079 55.0630 18.6176 179.2766 31 F 4.8352 7.9655 113.5298 57.5676 40.3164 177.9206 32 A 4.1494 8.0791 123.6282 55.0280 17.8904 180.1165 33 A 4.0119 7.9727 118.6388 55.3334 18.8750 178.6021 34 Y 4.2467 8.1669 117.6617 61.0871 38.8244 178.1546 35 E 3.8728 8.4033 119.1630 59.2535 29.2669 179.1721 36 E 3.9591 7.7175 118.0717 59.1789 29.5323 178.7530 37 L 3.8936 7.5477 119.3275 55.7081 42.7272 176.1194 38 D 4.1416 7.3293 116.9918 55.3865 40.0419 173.6811 39 V 4.3450 7.3334 116.2859 61.0278 33.8857 173.8559 40 E 4.8419 7.9618 125.2602 53.4484 32.9786 174.9991 41 P 4.1274 0.0000 0.0000 65.7989 31.3464 178.2565 42 S 4.2721 7.8200 110.5218 60.4080 64.1121 174.3996 43 H 4.7194 8.0738 121.6893 55.0196 26.8285 176.7421 44 V 3.6739 7.4957 112.6201 63.9730 32.0544 177.3830 45 H 4.7399 7.9243 114.7559 55.7122 29.1749 175.3895 46 K 4.3576 7.9837 119.8196 55.3436 32.9090 177.5027 47 S 4.3821 8.9056 116.1261 58.3317 64.7306 175.5128 48 K 3.9770 8.6590 122.5576 59.9488 31.8394 179.5033 49 S 4.0938 8.0419 112.7949 61.4200 62.3596 175.9393 50 E 4.0416 8.2785 121.3885 59.6841 29.1825 179.0394 51 H 4.2614 8.3658 116.3952 58.5416 28.6638 178.0102 52 K 4.0399 8.4110 120.7285 59.6551 31.8310 178.7890 53 H 4.1832 8.3709 118.2834 59.3478 29.9198 177.1947 54 A 4.1405 8.2341 122.6192 55.2228 18.1059 179.8270 55 V 3.5609 8.0703 116.8991 65.7645 31.4764 177.9217 56 F 4.0639 8.6716 120.9113 61.5556 39.3091 177.1686 57 L 4.1080 8.5403 118.5227 57.7131 41.3449 179.7456 58 L 4.1533 8.0199 118.8613 57.6353 41.6433 179.5967 59 G 3.5090 8.1887 105.8614 47.8058 0.0000 174.9773 60 N 4.0450 8.0430 120.1702 56.3433 38.8952 176.7731 61 A 3.7440 7.9918 121.9250 54.7458 18.1279 179.3862 62 L 3.5019 7.7719 118.0675 58.1198 42.2482 178.7725 63 A 4.0528 7.7452 119.3896 55.0706 18.5463 179.1296 64 A 4.0928 8.1548 119.2622 54.9026 18.4323 180.0981 65 A 4.2720 7.7566 118.8728 52.3021 18.4601 179.6345 *67 S 4.2597 8.0662 116.9481 60.0356 64.4529 175.6701 68 E 4.1560 8.4458 119.8140 59.5239 28.8890 178.8571 69 D 4.3566 8.0318 117.1307 57.1450 41.5712 177.7695 70 E 4.0076 8.0388 119.3273 59.4374 29.9193 178.4336 71 F 4.2707 8.4610 118.4912 60.2778 38.7243 176.8445 72 S 4.6843 8.2160 111.1823 59.1084 63.4218 174.3465 73 S 4.5874 8.0837 115.3060 60.3407 64.8137 175.9984 74 A 4.1144 7.7974 124.5786 53.9363 18.3553 179.6582 75 G 4.1579 8.0620 105.3794 47.3127 0.0000 175.8567 76 R 3.8995 7.7540 120.9755 59.3767 29.9520 178.4654 77 I 3.6946 7.7362 117.7551 64.6433 37.2051 177.9668 78 S 4.2804 7.9155 114.3912 61.5220 62.9260 176.4047 79 K 4.1536 8.2833 122.2975 59.4273 31.9166 180.1739 80 R 4.8696 8.1526 119.0768 55.8655 29.9819 178.3451 *82 E 4.2390 8.2034 121.4510 56.3626 31.5912 177.4658 83 E 3.9851 8.4373 118.3746 59.3396 29.4667 179.1207 84 L 3.9388 8.1722 120.1986 57.9934 41.9292 178.8487 85 A 3.9652 7.8914 119.1648 55.2017 18.7909 178.5029 86 D 4.5279 8.0912 117.4615 58.0392 40.7560 179.1887 87 D 4.3578 7.8988 117.1810 56.7835 41.8264 177.9330 88 A 4.4853 8.2738 122.0783 51.2754 16.7365 177.4264 89 S 4.1445 7.9735 122.2331 58.6267 63.3241 174.3686 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 H 8.30 4.81 0.00 3.31 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.56 3.79 0.00 1.93 1.81 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.60 7.81 4 D 8.93 4.34 0.00 2.81 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 5 E 8.12 4.01 0.00 2.18 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 0.00 2.43 2.41 0.00 6 L 8.01 3.99 0.00 1.90 1.86 0.96 0.82 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 7 L 8.19 3.93 0.00 1.68 1.65 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.11 3.98 0.00 2.21 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 2.32 2.42 0.00 9 L 7.79 3.92 0.00 1.74 1.91 0.93 0.94 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 10 H 8.28 4.32 0.00 3.31 3.50 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.50 4.08 0.00 2.19 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 0.00 2.28 2.32 0.00 12 Q 8.00 3.98 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.15 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 *14 V 7.85 3.73 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.84 0.00 0.00 15 N 7.97 4.27 0.00 3.01 2.81 0.00 0.00 6.96 7.42 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 16 I 7.86 3.62 1.78 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 1.56 0.76 0.91 0.00 0.00 17 K 7.76 3.36 0.00 0.88 1.55 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.10 0.61 7.81 18 D 7.84 4.23 0.00 2.59 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 19 Q 8.04 3.90 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 20 F 8.32 3.21 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.34 0.00 1.65 1.75 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.30 3.78 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 0.00 0.00 0.00 23 F 7.32 4.88 0.00 2.80 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 24 D 8.56 4.39 0.00 2.62 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 25 H 8.60 3.92 0.00 3.21 3.30 0.00 5.91 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.06 4.22 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 0.44 0.00 0.00 0.77 0.00 0.00 27 D 8.48 4.59 0.00 2.84 2.72 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 28 E 8.83 4.36 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 2.32 2.27 0.00 29 T 8.31 4.46 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 1.25 0.00 0.00 30 A 7.94 3.85 0.94 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 0.00 0.00 0.00 0.00 0.00 31 F 7.97 4.84 0.00 3.19 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 32 A 8.08 4.15 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 33 A 7.97 4.01 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 34 Y 8.17 4.25 0.00 3.16 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 35 E 8.40 3.87 0.00 2.10 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 2.75 2.62 0.00 36 E 7.72 3.96 0.00 2.06 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 2.35 2.59 0.00 37 L 7.55 3.89 0.00 1.46 1.68 0.79 1.39 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 38 D 7.33 4.14 0.00 2.67 2.61 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 39 V 7.33 4.34 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 0.84 0.00 0.00 0.91 0.00 0.00 40 E 7.96 4.84 0.00 1.58 1.67 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 2.17 2.10 0.00 41 P 0.00 4.13 0.00 1.95 2.01 0.00 3.59 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 42 S 7.82 4.27 0.00 3.99 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 43 H 8.07 4.72 0.00 3.36 3.30 0.00 5.64 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 44 V 7.50 3.67 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 0.72 0.00 0.00 0.71 0.00 0.00 45 H 7.92 4.74 0.00 3.17 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.98 4.36 0.00 1.93 1.90 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.40 7.81 47 S 8.91 4.38 0.00 4.06 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 48 K 8.66 3.98 0.00 1.85 1.94 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.54 7.81 49 S 8.04 4.09 0.00 3.89 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 50 E 8.28 4.04 0.00 2.18 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 0.00 2.33 2.35 0.00 51 H 8.37 4.26 0.00 3.37 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.41 4.04 0.00 1.98 1.90 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.69 7.81 53 H 8.37 4.18 0.00 3.30 3.48 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.23 4.14 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 55 V 8.07 3.56 2.26 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 1.10 0.00 0.00 0.98 0.00 0.00 56 F 8.67 4.06 0.00 3.22 3.37 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 57 L 8.54 4.11 0.00 2.13 1.93 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.02 4.15 0.00 1.80 1.56 0.59 -0.33 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 59 G 8.19 3.51 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 0.00 60 N 8.04 4.05 0.00 2.50 2.64 0.00 0.00 7.19 8.44 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 61 A 7.99 3.74 1.15 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 0.00 0.00 62 L 7.77 3.50 0.00 1.75 1.78 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.75 4.05 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 64 A 8.15 4.09 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 65 A 7.76 4.27 1.19 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 0.00 0.00 *67 S 8.07 4.26 0.00 4.02 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 68 E 8.45 4.16 0.00 2.07 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 2.54 2.49 0.00 69 D 8.03 4.36 0.00 2.84 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 70 E 8.04 4.01 0.00 2.02 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 2.10 2.23 0.00 71 F 8.46 4.27 0.00 3.19 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 72 S 8.22 4.68 0.00 4.07 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 0.00 73 S 8.08 4.59 0.00 4.04 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 74 A 7.80 4.11 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 75 G 8.06 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 0.00 0.00 0.00 76 R 7.75 3.90 0.00 1.86 2.00 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 77 I 7.74 3.69 2.03 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 1.81 0.92 0.91 0.00 0.00 78 S 7.92 4.28 0.00 4.04 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 79 K 8.28 4.15 0.00 1.84 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 80 R 8.15 4.87 0.00 2.12 1.93 0.00 3.22 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.50 0.00 *82 E 8.20 4.24 0.00 2.03 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 0.00 2.28 2.35 0.00 83 E 8.44 3.99 0.00 2.24 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 2.33 2.40 0.00 84 L 8.17 3.94 0.00 1.83 1.66 0.92 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 85 A 7.89 3.97 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 86 D 8.09 4.53 0.00 2.98 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 87 D 7.90 4.36 0.00 2.88 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 88 A 8.27 4.49 1.25 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 89 S 7.97 4.14 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.