NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6100 8.2233 120.5322 54.1652 42.3403 173.7005 3 I 4.5072 8.2158 124.1930 59.3932 39.0060 173.4362 4 R 4.5042 9.7262 127.3423 54.5862 32.9231 174.2424 5 Y 5.0409 8.3703 121.0111 56.2305 40.3869 175.0821 6 F 4.7735 9.3071 122.5743 55.8905 42.6228 175.6285 7 G 3.7374 9.0502 111.7198 46.8652 0.0000 173.7012 8 T 4.0633 8.2624 115.1364 62.7524 68.2729 174.3479 9 T 4.5899 8.2265 115.5646 58.6236 71.7701 173.0849 10 P 4.3012 0.0000 0.0000 64.7881 31.4623 177.6273 11 R 4.3586 7.6063 117.5546 57.7345 31.0833 175.1368 12 Y 4.7766 6.7922 113.8128 56.3042 40.9196 172.6510 13 S 5.1175 8.3519 115.7788 56.7106 65.3851 175.4942 14 E 4.0403 8.4199 122.8764 59.0948 30.2935 176.9366 15 A 5.1927 8.1496 119.8216 50.6027 23.2153 175.8501 16 V 5.0657 9.2920 114.2522 59.5575 36.1210 175.0565 17 G 4.6932 9.1881 110.5056 44.7520 0.0000 171.6735 18 A 4.9413 9.3001 122.5892 51.9099 23.1639 176.1945 19 N 3.9318 9.7542 121.9347 54.6676 37.4141 175.2214 20 G 3.9978 7.9563 104.2819 45.8788 0.0000 172.8995 21 L 4.8230 7.6565 120.2872 54.0507 43.7354 175.8694 22 I 5.0344 8.8840 122.7356 59.6169 40.9224 174.2557 23 F 4.9173 9.5867 126.2710 55.7231 41.1567 174.6634 24 L 5.0322 8.5341 124.2503 53.1282 43.1025 177.0905 25 S 4.1892 8.6163 119.1139 58.4869 63.6054 176.3978 26 G 4.4031 8.1449 108.2283 44.8458 0.0000 173.1378 *28 V 3.4769 7.9929 111.6754 60.0182 32.5251 173.6077 29 P 4.3564 0.0000 0.0000 62.8644 31.6231 176.3972 30 E 4.5927 9.2209 121.3377 56.5792 31.4707 175.8228 31 N 4.9997 7.9875 113.6978 51.9329 42.7509 174.7164 32 G 4.1190 9.0298 104.7918 46.1527 0.0000 172.7210 33 E 4.5072 9.6648 118.4048 57.6830 31.8780 178.1271 34 T 4.2274 7.8953 108.1316 60.9799 71.0843 175.0172 35 A 3.9921 8.5996 123.2665 55.2398 18.3633 179.8385 36 A 3.9252 8.6518 119.4557 55.5057 18.6678 179.6763 37 E 3.9268 8.0036 116.4597 59.7528 29.4611 179.8085 38 Q 4.1405 8.2484 117.9981 59.1100 28.7012 178.7309 39 T 3.7693 8.0901 116.6415 66.7168 68.4724 176.4331 40 A 3.9087 7.9618 122.5187 55.0540 18.2934 179.2540 41 D 4.1632 7.9487 116.1587 57.4027 41.2944 178.4672 42 V 3.4859 7.8322 118.9249 66.1999 31.4579 178.0191 43 L 3.3801 8.0152 118.6537 57.4292 41.3453 179.4000 44 A 4.0295 8.1473 121.0258 55.1935 18.2944 179.7517 45 Q 4.0051 8.2898 116.7205 59.1181 28.7668 178.8836 46 I 3.8737 8.0309 121.0517 64.4929 37.1234 178.0407 47 D 4.5314 8.4584 119.7921 57.6406 40.7006 179.2567 48 R 3.7804 7.8411 117.8499 59.0730 30.1439 179.2738 49 W 4.2491 8.2118 118.7039 59.4541 29.0100 178.4523 50 L 3.9625 8.2664 118.9409 58.0223 41.0288 179.4256 51 A 4.0817 7.9386 120.3207 55.3342 18.0404 179.3524 52 E 3.9382 7.8844 115.9855 59.5467 29.6551 178.5450 53 C 3.8901 7.4775 113.2091 58.9527 28.5766 174.0898 54 G 3.7977 8.0643 109.5753 46.1099 0.0000 173.1556 55 S 4.7610 7.9416 114.3330 56.8991 65.7605 171.3603 56 D 4.5550 7.9114 118.7550 52.3704 41.2370 176.2068 57 K 3.7939 8.4613 117.6793 59.4132 32.3439 177.5514 58 A 4.1867 7.8354 120.7160 52.9386 18.6914 176.9457 59 H 4.8402 8.2331 113.8392 55.3182 30.0035 173.1216 60 V 4.2927 7.8319 119.1175 62.3596 32.5161 175.3081 61 L 4.4498 8.8428 127.0921 56.6603 43.3297 176.2929 62 D 5.2364 7.8484 116.5632 52.6906 45.2713 174.0140 63 A 5.0808 9.1855 126.3841 50.4536 22.8045 174.7625 64 V 4.4682 8.7495 123.2622 61.0885 34.0886 174.4026 65 I 4.6051 8.6476 129.3612 59.8352 39.3526 174.1061 66 Y 5.0279 8.9608 126.4077 56.6131 39.7285 174.8067 67 L 5.1116 8.6126 124.5216 52.9081 43.8995 177.3926 68 R 4.0935 8.7699 124.6776 58.6828 30.5900 175.1893 69 D 4.8310 7.6831 117.5666 52.9560 43.6104 175.0585 *71 G 3.9137 8.6218 104.3429 45.6656 0.0000 173.0148 72 D 4.7889 8.1877 119.2960 54.3432 41.1638 177.6792 73 Y 4.0777 8.2082 121.4032 60.8298 39.1225 177.3357 74 A 3.9683 8.1609 122.1963 55.2233 18.8638 179.4698 75 E 4.2539 7.6866 113.6767 57.2329 29.3035 178.1057 *77 N 4.6443 8.3785 116.4942 52.8085 40.4925 176.7094 78 G 3.7967 8.2394 104.9368 48.0877 0.0000 175.8068 79 V 3.7481 7.2241 118.6671 65.2528 31.9488 177.4745 80 W 4.4021 8.2655 127.6546 60.7601 30.3121 177.4048 81 D 4.3473 8.7942 117.3118 57.4184 40.3408 177.7915 82 A 4.1572 7.6012 118.4249 53.4499 18.7496 177.9183 83 W 4.4014 7.7376 125.1544 59.0043 31.4014 177.4653 84 V 2.9256 7.1652 109.4796 60.6246 31.6182 175.4504 85 A 3.8716 7.8150 125.1606 51.1216 18.4769 177.2452 86 A 4.0217 8.3648 126.4547 54.0223 18.7505 178.0957 87 G 4.0447 8.9151 109.6897 45.9413 0.0000 173.7252 88 R 4.6700 7.8462 119.0455 55.7338 31.2742 175.8094 89 T 3.9913 7.9561 107.6668 61.0341 69.6130 172.1864 90 P 4.8118 0.0000 0.0000 61.4664 33.5126 175.1778 91 A 4.2466 8.7383 122.0104 52.4157 19.3092 176.7479 92 R 5.0687 8.4828 120.2428 54.5728 33.6861 174.0771 93 A 4.7142 8.7895 126.2326 50.2356 22.6046 174.3587 94 C 5.2107 8.5624 121.5634 57.5184 34.6419 173.4047 95 V 4.4864 8.4051 123.9878 60.3647 34.9847 172.8127 96 E 5.0686 8.7309 123.6633 55.2269 30.1981 175.0858 97 A 4.7781 8.9389 128.1951 50.4336 23.0165 175.9064 98 R 4.0596 8.7343 120.7927 56.2364 30.8892 176.1174 99 L 4.8151 7.9907 120.0162 52.6829 44.6385 176.2768 100 A 4.0515 8.8684 121.1685 54.5724 18.8140 178.1500 101 R 4.2693 6.4690 113.5116 53.3748 32.9281 175.1467 102 P 4.2758 0.0000 0.0000 65.2902 31.5192 177.5369 103 E 4.1917 7.8168 115.6807 57.2373 29.8471 176.5216 104 W 4.8363 7.8125 120.0144 56.5716 29.5791 176.2189 105 R 4.7065 9.5388 122.9987 56.8086 31.4421 176.6294 106 V 5.0195 7.5577 117.1360 60.3340 34.5606 173.4893 107 E 4.6991 9.6148 124.3615 54.5381 33.1885 173.9362 108 I 4.9728 8.4514 126.3800 59.3046 40.4655 174.5098 109 K 4.5974 9.1989 128.4297 54.7388 34.6118 174.5410 110 I 5.0165 8.4422 127.8173 59.8695 40.2830 174.5094 111 T 4.8639 8.7776 122.4733 61.8456 71.5228 173.3314 112 A 5.2981 8.9648 126.7382 50.6198 23.4492 174.6336 113 V 4.9058 8.1939 116.6111 59.7616 34.2740 176.2800 114 K 4.3221 8.7938 122.7775 56.5379 32.5625 177.3429 115 R 4.0789 8.3445 122.4971 56.2616 31.1571 176.7441 116 D 4.5113 8.3909 119.3568 54.6068 41.1849 176.6706 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 D 8.22 4.61 0.00 2.73 2.66 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 3 I 8.22 4.51 1.70 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 1.27 0.62 0.30 0.00 0.00 4 R 9.73 4.50 0.00 1.81 1.58 0.00 3.15 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 5 Y 8.37 5.04 0.00 2.75 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 6 F 9.31 4.77 0.00 3.06 3.21 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 0.00 0.00 0.00 7 G 9.05 3.74 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 0.00 0.00 0.00 8 T 8.26 4.06 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 1.06 0.00 0.00 9 T 8.23 4.59 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 0.80 0.00 0.00 10 P 0.00 4.30 0.00 2.02 2.12 0.00 3.56 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 11 R 7.61 4.36 0.00 1.84 2.08 0.00 3.50 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 12 Y 6.79 4.78 0.00 3.37 3.01 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 0.00 0.00 0.00 13 S 8.35 5.12 0.00 3.95 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 14 E 8.42 4.04 0.00 1.16 1.12 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 2.19 1.58 0.00 15 A 8.15 5.19 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 16 V 9.29 5.07 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 0.83 0.00 0.00 0.92 0.00 0.00 17 G 9.19 4.69 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 0.00 0.00 0.00 18 A 9.30 4.94 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 19 N 9.75 3.93 0.00 2.82 2.86 0.00 0.00 7.17 7.98 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 20 G 7.96 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 21 L 7.66 4.82 0.00 1.97 1.62 1.07 0.75 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 22 I 8.88 5.03 1.81 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 1.20 0.89 0.88 0.00 0.00 23 F 9.59 4.92 0.00 2.90 3.01 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 0.00 0.00 0.00 24 L 8.53 5.03 0.00 1.56 1.58 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.62 4.19 0.00 3.60 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 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 0.00 0.00 0.00 0.00 *28 V 7.99 3.48 0.67 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 0.35 0.00 0.00 0.16 0.00 0.00 29 P 0.00 4.36 0.00 1.90 1.89 0.00 2.33 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 30 E 9.22 4.59 0.00 2.04 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 2.19 0.00 31 N 7.99 5.00 0.00 2.77 2.66 0.00 0.00 7.17 7.65 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 32 G 9.03 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 33 E 9.66 4.51 0.00 1.91 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 2.25 2.23 0.00 34 T 7.90 4.23 4.44 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 1.23 0.00 0.00 35 A 8.60 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 3.93 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 37 E 8.00 3.93 0.00 2.21 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 2.36 0.00 38 Q 8.25 4.14 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 39 T 8.09 3.77 4.36 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 1.21 0.00 0.00 40 A 7.96 3.91 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 41 D 7.95 4.16 0.00 2.81 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 42 V 7.83 3.49 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 0.95 0.00 0.00 0.83 0.00 0.00 43 L 8.02 3.38 0.00 1.16 0.14 0.56 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.15 4.03 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 45 Q 8.29 4.01 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 46 I 8.03 3.87 1.95 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 1.09 0.00 0.00 47 D 8.46 4.53 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.84 3.78 0.00 1.78 1.53 0.00 2.91 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 49 W 8.21 4.25 0.00 3.44 3.20 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 50 L 8.27 3.96 0.00 1.93 1.85 1.13 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.94 4.08 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 52 E 7.88 3.94 0.00 2.23 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 0.00 2.19 2.19 0.00 53 C 7.48 3.89 0.00 2.88 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 54 G 8.06 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 55 S 7.94 4.76 0.00 3.73 3.70 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 56 D 7.91 4.55 0.00 2.83 2.69 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 57 K 8.46 3.79 0.00 0.79 1.41 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.43 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.02 0.83 7.81 58 A 7.84 4.19 1.16 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 59 H 8.23 4.84 0.00 3.18 3.34 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.83 4.29 2.13 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 1.01 0.00 0.00 1.10 0.00 0.00 61 L 8.84 4.45 0.00 1.68 1.66 0.86 0.79 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 62 D 7.85 5.24 0.00 2.74 2.42 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 0.00 0.00 0.00 0.00 63 A 9.19 5.08 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 64 V 8.75 4.47 1.89 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 0.24 0.00 0.00 0.86 0.00 0.00 65 I 8.65 4.61 1.59 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.09 0.77 0.00 0.00 66 Y 8.96 5.03 0.00 2.85 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 67 L 8.61 5.11 0.00 1.63 1.60 1.06 0.62 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 68 R 8.77 4.09 0.00 2.03 2.02 0.00 3.28 0.00 0.00 3.04 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.46 0.00 69 D 7.68 4.83 0.00 2.71 2.51 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 *71 G 8.62 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 0.00 0.00 0.00 72 D 8.19 4.79 0.00 2.94 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 73 Y 8.21 4.08 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.97 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 75 E 7.69 4.25 0.00 2.20 2.06 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 2.37 2.29 0.00 *77 N 8.38 4.64 0.00 2.80 2.76 0.00 0.00 6.88 7.95 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 78 G 8.24 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 79 V 7.22 3.75 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 0.86 0.00 0.00 0.95 0.00 0.00 80 W 8.27 4.40 0.00 3.46 3.18 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 81 D 8.79 4.35 0.00 2.76 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 82 A 7.60 4.16 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 83 W 7.74 4.40 0.00 3.21 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 84 V 7.17 2.93 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 -0.11 0.00 0.00 0.83 0.00 0.00 85 A 7.81 3.87 1.02 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 0.00 0.00 86 A 8.36 4.02 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 87 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 88 R 7.85 4.67 0.00 1.60 1.77 0.00 3.07 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 89 T 7.96 3.99 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 1.25 0.00 0.00 90 P 0.00 4.81 0.00 2.25 2.37 0.00 4.04 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 91 A 8.74 4.25 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 92 R 8.48 5.07 0.00 1.81 1.68 0.00 2.21 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.20 0.00 93 A 8.79 4.71 1.10 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 0.00 0.00 94 C 8.56 5.21 0.00 2.85 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 95 V 8.41 4.49 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 0.74 0.00 0.00 0.90 0.00 0.00 96 E 8.73 5.07 0.00 1.99 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 2.35 2.39 0.00 97 A 8.94 4.78 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 98 R 8.73 4.06 0.00 1.80 1.87 0.00 3.16 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 99 L 7.99 4.82 0.00 1.89 1.93 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.87 4.05 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 0.00 101 R 6.47 4.27 0.00 0.67 1.21 0.00 2.76 0.00 0.00 3.06 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 102 P 0.00 4.28 0.00 1.97 2.05 0.00 3.46 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 103 E 7.82 4.19 0.00 2.02 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 2.31 2.35 0.00 104 W 7.81 4.84 0.00 3.52 3.01 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 0.00 0.00 0.00 105 R 9.54 4.71 0.00 1.85 2.01 0.00 3.17 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 106 V 7.56 5.02 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 0.59 0.00 0.00 0.96 0.00 0.00 107 E 9.61 4.70 0.00 2.01 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 2.30 2.23 0.00 108 I 8.45 4.97 1.84 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 1.14 0.75 0.94 0.00 0.00 109 K 9.20 4.60 0.00 1.94 1.73 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.46 7.81 110 I 8.44 5.02 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.06 0.98 0.00 0.00 111 T 8.78 4.86 4.10 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 0.63 0.00 0.00 112 A 8.96 5.30 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 0.00 113 V 8.19 4.91 2.06 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 0.79 0.00 0.00 0.96 0.00 0.00 114 K 8.79 4.32 0.00 1.65 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.43 7.81 115 R 8.34 4.08 0.00 1.63 1.76 0.00 3.03 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.36 0.00 116 D 8.39 4.51 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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.