NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6362 8.1476 118.3366 54.6188 33.7926 174.1338 2 V 3.9061 8.2671 119.3460 61.9163 32.4346 173.8699 3 K 5.6077 10.2996 126.2970 53.7055 37.1121 175.8487 4 I 4.9533 8.1123 120.6133 60.5901 40.9240 174.8219 5 R 5.0408 9.0041 123.8053 54.5653 33.4943 173.1264 6 L 4.9837 8.5479 118.4533 53.6091 43.2602 176.1807 7 A 4.6823 8.3788 126.2160 49.8105 20.9386 176.1385 8 R 3.6694 8.3824 123.1404 57.2512 30.9950 176.0131 9 F 4.3905 8.1190 118.9574 57.7819 43.4107 174.0343 10 G 4.0685 9.0875 107.4136 46.7048 0.0000 171.4780 11 S 4.7194 8.1171 117.7902 55.9337 66.0360 172.9728 12 K 3.9178 8.3233 122.4833 58.0645 31.8637 176.0374 13 H 4.2778 9.3391 123.4490 56.8147 25.4793 174.7590 14 N 4.9284 7.9463 115.4425 51.5356 38.9528 171.7315 15 P 4.0184 0.0000 0.0000 63.0743 31.8566 176.3371 16 H 4.7630 8.6052 122.4672 53.9457 30.9410 173.5491 17 Y 4.4919 8.7914 121.9164 57.6576 40.0770 175.0829 18 R 4.8195 9.0073 119.9856 55.1248 33.0506 174.0394 19 I 4.1656 8.5025 128.6391 62.0774 38.2393 175.8090 20 V 4.8646 8.9786 125.8369 60.2542 35.0675 173.7616 21 V 4.3702 8.2971 122.8928 61.5010 33.2235 174.9060 22 T 4.1478 8.2987 117.0547 61.5775 71.9602 170.7959 23 D 4.9559 8.3452 122.9711 53.3387 41.8085 176.3251 24 A 4.0397 8.4564 128.2026 55.6061 18.3928 179.0669 25 R 4.0044 9.1584 112.4571 58.0331 30.3147 177.2889 26 R 4.2627 7.8612 117.7569 55.0980 31.0741 176.2379 27 K 4.2134 8.2521 118.1364 56.1430 33.0027 176.7719 28 R 3.6871 8.0554 117.8512 60.4011 30.4699 176.7043 29 D 4.5744 7.6572 119.1491 54.2131 41.2840 175.9730 30 G 4.1513 7.3834 109.2105 43.6405 0.0000 172.9922 31 K 4.0369 8.5511 120.8204 56.3212 32.6612 176.2840 32 Y 4.9158 7.3753 123.4111 54.7989 40.6920 175.5641 33 I 3.8345 7.9636 122.7651 64.4041 37.7899 176.2956 34 E 4.9043 7.8796 118.3696 55.3182 32.7417 174.3937 35 K 4.8688 9.1673 127.5578 55.5802 33.2826 175.9809 36 I 4.5337 8.5070 118.0376 60.0781 40.0215 174.8768 37 G 4.1235 7.5655 108.6405 46.6157 0.0000 170.8673 38 Y 5.4996 6.8015 116.6580 56.0561 42.5248 173.7974 39 Y 5.2293 8.7724 119.0529 57.2363 42.7738 172.8048 40 D 4.6384 9.1779 128.8046 51.9451 41.4614 175.1029 41 P 4.6834 0.0000 0.0000 63.7462 31.2652 177.1497 42 R 4.2320 7.7815 117.0622 56.3556 30.7568 177.5699 43 K 3.8613 7.1132 113.3892 58.0108 28.3679 174.4983 44 T 4.5410 8.3210 116.2519 60.8159 69.6217 175.3290 45 T 4.1813 7.4296 114.0604 61.9760 69.9047 170.6026 46 P 4.5772 0.0000 0.0000 65.6831 31.8371 177.2008 47 D 4.7034 7.9613 119.9904 52.5947 39.4989 175.6572 48 W 4.9651 7.2774 114.4082 55.6414 30.3745 177.0102 49 L 4.7617 7.0639 116.5743 55.0460 43.4726 173.0361 50 K 4.4475 7.3750 127.9042 54.4971 35.7632 175.2282 51 V 4.3579 7.7641 124.5303 60.8183 34.5321 174.9657 52 D 4.5679 9.6581 128.8631 53.3736 39.9174 176.4960 53 V 3.6108 8.1003 119.5159 64.2379 31.5995 177.3581 54 E 3.9527 8.3207 116.5797 59.4509 29.3891 179.2702 55 R 4.2171 7.8993 115.8515 58.8709 30.4960 178.4894 56 A 4.0979 7.8823 118.9827 55.5783 18.4550 179.8230 57 R 3.9114 8.0998 116.3347 60.2233 30.2467 177.6738 58 Y 3.7499 8.0998 120.0598 59.9883 38.3038 177.9979 59 W 4.7496 8.0837 122.1512 59.8701 29.6932 177.9348 60 L 4.3196 7.8579 118.4471 57.0021 40.9005 178.9698 61 S 4.3175 8.3584 114.3040 60.1982 62.4059 175.6691 62 V 3.8823 7.1926 115.3319 60.5397 32.1562 173.8832 63 G 3.7644 8.4825 113.5173 45.9597 0.0000 174.9650 64 A 5.3211 8.0166 129.3525 49.4774 19.6527 175.6082 65 Q 4.0301 7.8267 120.2064 54.9549 30.0577 176.8086 66 P 5.3155 0.0000 0.0000 61.1882 33.4922 175.1386 67 T 3.9636 8.4451 118.0413 64.2476 69.7698 175.2683 68 D 4.3212 8.8080 121.6576 57.8942 40.7865 178.5733 69 T 3.9903 7.6838 109.6321 63.3077 67.5410 175.0462 70 A 4.2523 7.6591 122.3488 55.4124 19.1281 179.8064 71 R 4.0602 7.8901 114.0306 59.2896 29.2215 178.6998 72 R 3.8628 7.9520 119.0761 59.5530 29.7856 178.0580 73 L 3.9830 7.6176 116.4315 56.6134 41.9164 178.9501 74 L 4.2574 7.6169 119.1558 57.2525 41.9330 178.8519 75 R 4.0938 9.0375 120.1037 59.6303 30.0497 177.9374 76 Q 4.1553 8.1721 115.0137 57.3814 28.8227 175.8730 77 A 4.5088 7.8574 118.5755 51.6123 19.9268 177.0647 78 G 4.0368 8.2929 105.4996 47.9638 0.0000 173.7438 79 V 4.0607 7.6439 116.1554 63.7370 33.5630 175.9963 80 F 4.4775 8.3552 116.2811 57.1585 38.7928 175.5396 81 R 4.3811 7.7127 121.7284 56.3734 30.7119 175.0027 82 Q 4.5745 8.5096 114.9920 55.5084 34.1627 173.9104 83 E 3.7926 8.0346 119.9880 57.0196 28.0973 173.9822 *84 A 4.1104 7.7341 124.7458 52.4851 18.9361 176.2428 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 8.15 4.64 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 2 V 8.27 3.91 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 0.81 0.00 0.00 0.95 0.00 0.00 3 K 10.30 5.61 0.00 1.57 1.76 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.44 7.81 4 I 8.11 4.95 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.84 0.93 0.00 0.00 5 R 9.00 5.04 0.00 1.81 2.02 0.00 3.04 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 6 L 8.55 4.98 0.00 1.59 1.99 0.91 0.45 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 7 A 8.38 4.68 1.20 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 8 R 8.38 3.67 0.00 1.55 1.53 0.00 3.09 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.00 9 F 8.12 4.39 0.00 3.28 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 10 G 9.09 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.12 4.72 0.00 3.81 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 12 K 8.32 3.92 0.00 1.66 1.69 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.07 1.32 7.81 13 H 9.34 4.28 0.00 3.38 3.42 0.00 5.73 0.00 0.00 0.00 0.00 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 7.95 4.93 0.00 2.60 2.82 0.00 0.00 7.18 7.69 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 15 P 0.00 4.02 0.00 2.11 2.11 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 16 H 8.61 4.76 0.00 3.07 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.79 4.49 0.00 3.32 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 18 R 9.01 4.82 0.00 2.14 2.06 0.00 3.02 0.00 0.00 3.06 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 19 I 8.50 4.17 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.18 0.92 0.00 0.00 20 V 8.98 4.86 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 0.82 0.00 0.00 0.81 0.00 0.00 21 V 8.30 4.37 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 0.19 0.00 0.00 -0.16 0.00 0.00 22 T 8.30 4.15 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 1.20 0.00 0.00 23 D 8.35 4.96 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.04 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 25 R 9.16 4.00 0.00 1.86 2.00 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 26 R 7.86 4.26 0.00 1.81 1.89 0.00 3.16 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 27 K 8.25 4.21 0.00 1.93 1.93 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.42 7.81 28 R 8.06 3.69 0.00 1.77 1.91 0.00 3.25 0.00 0.00 3.24 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 29 D 7.66 4.57 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.38 4.15 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 0.00 31 K 8.55 4.04 0.00 1.69 1.71 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.26 7.81 32 Y 7.38 4.92 0.00 3.27 2.89 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 33 I 7.96 3.83 1.44 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.52 0.79 0.00 0.00 34 E 7.88 4.90 0.00 2.13 1.73 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 2.34 2.36 0.00 35 K 9.17 4.87 0.00 1.99 1.86 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.41 7.81 36 I 8.51 4.53 1.93 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 1.17 0.81 1.11 0.00 0.00 37 G 7.57 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.80 5.50 0.00 3.10 3.09 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 0.00 0.00 0.00 39 Y 8.77 5.23 0.00 3.11 2.99 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 40 D 9.18 4.64 0.00 2.79 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 41 P 0.00 4.68 0.00 2.20 1.99 0.00 3.35 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 1.99 2.22 0.00 42 R 7.78 4.23 0.00 1.83 1.86 0.00 3.17 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 43 K 7.11 3.86 0.00 1.31 1.10 0.00 1.10 0.00 0.00 1.30 0.00 0.00 2.62 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.32 4.54 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 1.22 0.00 0.00 45 T 7.43 4.18 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 1.33 0.00 0.00 46 P 0.00 4.58 0.00 2.29 2.26 0.00 3.89 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 2.07 2.05 0.00 47 D 7.96 4.70 0.00 2.80 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 48 W 7.28 4.97 0.00 3.72 3.44 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 49 L 7.06 4.76 0.00 1.43 0.64 0.88 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.38 4.45 0.00 1.19 0.74 0.00 1.52 0.00 0.00 1.39 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.39 7.81 51 V 7.76 4.36 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 0.74 0.00 0.00 0.82 0.00 0.00 52 D 9.66 4.57 0.00 2.75 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 53 V 8.10 3.61 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 0.79 0.00 0.00 0.95 0.00 0.00 54 E 8.32 3.95 0.00 2.13 2.04 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 2.31 2.37 0.00 55 R 7.90 4.22 0.00 2.11 2.15 0.00 3.30 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 2.04 1.99 0.00 56 A 7.88 4.10 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 57 R 8.10 3.91 0.00 1.84 1.93 0.00 3.24 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.70 0.00 58 Y 8.10 3.75 0.00 2.83 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 59 W 8.08 4.75 0.00 3.42 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 60 L 7.86 4.32 0.00 1.80 1.65 0.72 1.03 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 61 S 8.36 4.32 0.00 3.79 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 62 V 7.19 3.88 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 0.24 0.00 0.00 0.86 0.00 0.00 63 G 8.48 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 64 A 8.02 5.32 1.40 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 0.00 0.00 0.00 65 Q 7.83 4.03 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 66 P 0.00 5.32 0.00 2.12 2.10 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.14 0.00 67 T 8.45 3.96 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 1.21 0.00 0.00 68 D 8.81 4.32 0.00 2.66 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 69 T 7.68 3.99 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 1.17 0.00 0.00 70 A 7.66 4.25 1.40 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 0.00 0.00 0.00 71 R 7.89 4.06 0.00 2.09 2.34 0.00 2.92 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.47 0.00 72 R 7.95 3.86 0.00 1.95 1.87 0.00 3.12 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 73 L 7.62 3.98 0.00 1.63 1.51 0.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.62 4.26 0.00 2.19 2.01 1.04 0.87 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 75 R 9.04 4.09 0.00 1.26 1.93 0.00 2.96 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 76 Q 8.17 4.16 0.00 2.03 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 77 A 7.86 4.51 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 78 G 8.29 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 79 V 7.64 4.06 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 0.63 0.00 0.00 1.01 0.00 0.00 80 F 8.36 4.48 0.00 3.00 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 81 R 7.71 4.38 0.00 1.80 1.85 0.00 3.28 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 82 Q 8.51 4.57 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 5.88 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 83 E 8.03 3.79 0.00 2.15 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 2.20 2.23 0.00 *84 A 7.73 4.11 1.23 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 * Residues marked with a * may have inaccurate shift predictions.