NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3451 8.1744 110.9383 61.2023 69.7137 173.3407 2 K 4.3132 8.9377 120.9161 55.6053 37.5648 174.5710 3 L 4.0608 8.9547 120.8364 58.5854 42.6630 178.0885 4 E 3.9249 7.8309 117.0199 59.7488 29.5214 179.3282 5 E 4.0149 8.1363 117.4829 60.0807 29.6638 179.1833 6 H 4.2995 8.7912 116.5228 58.9662 28.7396 177.9862 7 L 4.1430 8.5492 121.2684 57.4643 41.3790 178.9326 8 E 4.0284 8.9274 120.4372 59.2508 29.5256 179.1788 9 G 3.6454 8.0248 105.4671 48.0656 0.0000 175.5303 10 I 3.9432 7.8032 122.8924 63.9854 37.0728 178.6214 11 V 3.6889 8.1260 118.8710 66.1877 31.1726 177.3788 12 N 4.3759 7.9085 114.7264 56.7889 38.6988 176.8829 13 I 4.0090 7.9855 120.5474 64.6958 37.4342 178.3554 14 F 3.9151 8.8460 121.5750 61.5126 39.2030 176.6912 15 H 4.7201 8.5243 117.1534 57.7505 28.3253 177.5245 16 Q 4.1111 8.2989 119.4649 58.4000 28.6013 177.3844 17 Y 4.0385 7.8822 117.4800 59.8059 38.5006 177.2611 18 S 4.1771 7.5393 113.4027 59.9007 63.2720 176.1417 19 V 3.9123 7.7587 122.0275 65.2723 31.1555 177.6336 20 R 3.9483 7.5043 119.6907 59.4627 30.1432 177.1790 21 K 4.5370 7.6661 115.8927 55.4188 39.5471 181.6358 *24 F 5.4192 8.3017 118.5812 58.0809 40.7878 174.9114 25 D 4.7559 8.1659 116.7657 52.9798 39.6401 175.4545 26 T 5.3421 7.6267 109.1199 60.2560 72.0729 172.9776 27 L 4.9531 9.3250 122.3704 53.7221 44.2933 175.7989 28 S 4.6568 8.4866 114.6764 58.8534 63.6729 175.5932 29 K 4.0476 9.1928 121.9580 59.7456 31.7490 179.9378 30 G 3.4760 8.0619 105.8722 47.9122 0.0000 175.5970 31 E 4.0871 7.9708 122.3957 59.6450 29.5322 179.9856 32 L 3.9897 8.3435 125.2531 59.8667 40.7869 181.7884 33 K 3.8883 8.4121 124.5562 59.7812 31.9059 179.9580 34 Q 4.2912 8.1000 120.9344 58.9938 28.9308 178.1133 35 L 3.4813 8.4387 121.9819 58.4133 41.9690 179.0977 36 L 4.1065 8.5016 118.8075 58.0429 41.2054 179.6188 37 T 4.0053 7.9745 115.3506 66.7058 68.3524 176.4429 38 K 4.2999 8.0776 118.9542 58.0650 32.5695 177.2440 39 E 4.6949 8.0589 115.8680 56.1804 31.5852 176.6675 40 L 4.5095 8.4536 117.8691 55.3481 42.9610 180.3033 41 A 3.6376 7.5638 119.5060 54.3463 19.3193 178.6100 42 N 4.2679 8.0971 113.3815 56.4948 38.7392 177.3464 43 T 4.0930 7.8040 117.6013 66.4577 68.4208 176.3240 44 I 3.6561 7.5424 122.4201 64.9482 37.2437 179.1930 45 K 4.1165 8.1047 123.2747 59.2207 31.5552 180.0250 46 N 5.0131 7.9079 116.4099 54.9064 38.7988 175.7826 47 I 3.9889 7.3056 119.8812 59.8959 35.2820 181.5818 48 K 4.1168 8.4387 129.0549 56.4908 31.9205 174.2826 49 D 4.5725 7.8593 122.7330 54.0012 38.7750 177.0067 50 K 4.0814 8.3815 125.4586 55.7522 32.1577 176.7095 51 A 4.5449 7.6954 123.2921 53.9179 19.8531 178.8109 *52 V 4.2512 7.8133 119.3551 63.8914 34.8723 180.7970 53 I 4.0215 7.6156 123.0399 64.0364 35.2098 179.9115 54 D 4.6652 7.8352 122.6674 59.9033 39.6289 184.4950 55 E 4.3199 8.2553 121.7345 61.8257 29.8319 181.9328 56 I 4.0509 7.6821 121.2019 64.6806 35.6190 180.2934 57 F 4.7961 8.5877 121.6023 61.5416 38.8259 178.5384 58 Q 4.4332 7.5498 121.8692 59.3872 27.6109 180.1762 59 G 3.9975 7.8708 106.5356 48.0802 0.0000 174.9968 60 L 3.6390 8.4284 118.8662 57.6275 41.5447 178.9017 61 D 4.4083 6.5718 121.4393 57.3885 39.5897 178.9868 62 A 4.2224 7.6367 120.8997 54.2941 19.2046 177.8654 63 N 5.0169 8.6423 114.6588 52.4115 40.6798 174.8979 64 Q 4.1173 8.0546 119.7829 58.4670 29.7569 178.4425 65 D 4.5760 8.0029 116.0477 55.1934 41.1940 175.9315 66 E 4.1464 7.8404 120.4812 56.4828 30.3537 176.2456 67 Q 4.6719 8.7128 124.1745 55.7697 29.7669 175.8152 68 V 4.7785 9.3391 116.6327 59.5918 36.4043 174.1137 69 D 5.4381 8.4608 121.1659 51.1673 42.9234 176.4380 70 F 3.2721 8.6495 119.5667 61.6283 38.9931 176.6400 71 Q 3.9592 8.2730 116.6308 59.3925 28.4634 178.7356 72 E 3.9448 8.9433 120.2666 58.9465 29.6613 178.5999 73 F 4.2613 8.6536 121.3819 61.5706 39.3705 177.2623 74 I 2.9407 7.8388 121.9858 64.4404 36.5727 179.1023 *75 S 4.1579 7.6038 119.5054 63.4854 62.1081 179.6158 76 L 4.1258 7.4816 122.9744 57.3751 41.3970 179.6671 77 V 3.3498 7.4701 117.9414 65.9199 31.3813 177.5429 78 A 3.9364 7.9871 120.7499 55.5376 18.0915 179.8140 79 I 3.5361 7.3791 117.6377 64.3975 37.2216 178.1341 80 A 3.8820 8.2984 121.9706 55.4685 18.0941 179.7281 81 L 3.7072 8.2430 117.3442 58.1415 41.5870 178.9197 82 K 3.1814 7.8658 118.8300 59.4963 31.8517 178.1023 83 A 3.3791 8.2864 121.1515 54.4580 18.2241 178.3887 84 A 4.4648 7.3087 117.4435 51.0665 19.1676 176.5726 85 H 4.0154 9.4345 115.2105 57.8676 26.8172 174.5388 86 Y 3.5535 7.3117 112.8423 59.7255 35.5262 170.6558 87 H 4.7997 7.6171 119.4803 54.7114 27.6357 175.5438 88 T 4.2821 7.9960 111.5376 62.3762 69.8002 174.6199 89 H 5.1635 7.6667 120.2871 54.4733 31.2744 174.6964 90 K 4.2043 8.6434 120.1276 55.3236 31.6843 172.2655 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 T 8.17 4.35 4.24 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 1.23 0.00 0.00 2 K 8.94 4.31 0.00 1.87 1.73 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.56 7.81 3 L 8.95 4.06 0.00 1.81 1.69 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.83 3.92 0.00 2.15 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 2.34 2.39 0.00 5 E 8.14 4.01 0.00 2.02 1.91 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 2.38 2.40 0.00 6 H 8.79 4.30 0.00 3.32 3.37 0.00 5.64 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 7 L 8.55 4.14 0.00 1.81 1.74 0.94 0.84 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 8 E 8.93 4.03 0.00 2.05 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 0.00 2.34 2.37 0.00 9 G 8.02 3.65 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 0.00 0.00 0.00 10 I 7.80 3.94 2.15 0.00 0.00 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 1.56 0.98 1.37 0.00 0.00 11 V 8.13 3.69 2.36 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 1.16 0.00 0.00 0.59 0.00 0.00 12 N 7.91 4.38 0.00 3.04 3.00 0.00 0.00 7.15 7.49 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 13 I 7.99 4.01 2.16 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.84 1.06 0.00 0.00 14 F 8.85 3.92 0.00 2.80 3.39 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 15 H 8.52 4.72 0.00 3.56 3.47 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.30 4.11 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 17 Y 7.88 4.04 0.00 2.93 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 18 S 7.54 4.18 0.00 4.00 3.15 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 19 V 7.76 3.91 2.12 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 0.99 0.00 0.00 1.36 0.00 0.00 20 R 7.50 3.95 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 21 K 7.67 4.54 0.00 1.68 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.23 7.81 *24 F 8.30 5.42 0.00 2.91 3.22 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 25 D 8.17 4.76 0.00 2.87 2.59 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 0.00 0.00 0.00 26 T 7.63 5.34 4.41 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 1.29 0.00 0.00 27 L 9.32 4.95 0.00 1.59 1.60 0.51 0.99 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 28 S 8.49 4.66 0.00 4.18 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 29 K 9.19 4.05 0.00 2.03 1.90 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.60 7.81 30 G 8.06 3.48 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 0.00 31 E 7.97 4.09 0.00 2.25 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 2.35 2.32 0.00 32 L 8.34 3.99 0.00 1.63 1.67 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.41 3.89 0.00 1.80 1.79 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.35 7.81 34 Q 8.10 4.29 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 35 L 8.44 3.48 0.00 1.36 1.65 0.69 -1.56 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 36 L 8.50 4.11 0.00 2.14 1.86 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.97 4.01 4.43 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 1.32 0.00 0.00 38 K 8.08 4.30 0.00 1.85 1.99 0.00 1.78 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.60 7.81 39 E 8.06 4.69 0.00 2.08 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 2.36 2.56 0.00 40 L 8.45 4.51 0.00 1.80 1.64 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.56 3.64 1.41 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 0.00 0.00 42 N 8.10 4.27 0.00 2.88 3.02 0.00 0.00 6.95 7.05 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 43 T 7.80 4.09 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 1.13 0.00 0.00 44 I 7.54 3.66 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.56 0.75 0.00 0.00 45 K 8.10 4.12 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 46 N 7.91 5.01 0.00 2.91 2.86 0.00 0.00 6.87 7.61 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 47 I 7.31 3.99 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 1.15 1.55 0.91 0.00 0.00 48 K 8.44 4.12 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 0.99 7.81 49 D 7.86 4.57 0.00 2.66 2.55 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 50 K 8.38 4.08 0.00 1.72 1.80 0.00 1.82 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.44 1.01 7.81 51 A 7.70 4.54 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 *52 V 7.81 4.25 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 0.77 0.00 0.00 0.93 0.00 0.00 53 I 7.62 4.02 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 1.50 0.54 0.91 0.00 0.00 54 D 7.84 4.67 0.00 2.70 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 55 E 8.26 4.32 0.00 1.96 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 2.32 1.95 0.00 56 I 7.68 4.05 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 0.54 0.91 0.00 0.00 57 F 8.59 4.80 0.00 3.35 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 58 Q 7.55 4.43 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 59 G 7.87 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 0.00 0.00 0.00 60 L 8.43 3.64 0.00 1.83 1.50 1.02 0.80 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 61 D 6.57 4.41 0.00 2.89 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 62 A 7.64 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 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.64 5.02 0.00 2.74 2.70 0.00 0.00 6.62 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 64 Q 8.05 4.12 0.00 2.40 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.00 0.00 0.00 0.00 0.00 0.00 2.40 1.95 0.00 65 D 8.00 4.58 0.00 2.69 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 66 E 7.84 4.15 0.00 2.08 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 2.34 2.38 0.00 67 Q 8.71 4.67 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 68 V 9.34 4.78 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 0.88 0.00 0.00 1.10 0.00 0.00 69 D 8.46 5.44 0.00 2.83 2.86 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 70 F 8.65 3.27 0.00 2.51 2.92 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 71 Q 8.27 3.96 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.00 0.00 72 E 8.94 3.94 0.00 2.06 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 2.35 2.40 0.00 73 F 8.65 4.26 0.00 2.91 2.78 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 74 I 7.84 2.94 1.72 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.43 0.74 0.00 0.00 *75 S 7.60 4.16 0.00 3.77 3.88 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 76 L 7.48 4.13 0.00 1.73 1.71 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.47 3.35 1.77 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 0.68 0.00 0.00 0.21 0.00 0.00 78 A 7.99 3.94 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 79 I 7.38 3.54 1.94 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 1.41 0.72 0.84 0.00 0.00 80 A 8.30 3.88 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 81 L 8.24 3.71 0.00 1.79 1.54 1.01 0.82 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 82 K 7.87 3.18 0.00 1.96 1.70 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.35 7.81 83 A 8.29 3.38 1.27 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 0.00 0.00 0.00 84 A 7.31 4.46 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 85 H 9.43 4.02 0.00 3.14 3.34 0.00 5.96 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.31 3.55 0.00 3.17 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 87 H 7.62 4.80 0.00 3.31 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.00 4.28 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 1.23 0.00 0.00 89 H 7.67 5.16 0.00 3.23 3.37 0.00 5.52 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.64 4.20 0.00 1.80 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.