NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3764 8.2649 123.5996 52.0144 20.6533 177.3656 3 I 3.9830 7.7503 115.3607 59.7755 38.3225 173.3368 4 D 4.6132 8.3542 124.5188 52.9471 42.9871 177.0181 5 V 2.6703 8.2237 126.4468 64.5498 31.3375 177.9550 6 L 4.9950 7.7865 117.7536 55.8855 41.5316 177.6279 7 D 4.4570 7.7947 118.0795 55.8532 41.3272 177.7216 8 V 3.8824 7.4739 117.8099 64.1288 32.4031 175.8549 9 I 4.3753 7.8687 120.7516 58.3736 40.2477 175.5782 10 S 4.7107 8.2757 120.1975 57.7807 65.0537 174.8986 11 L 4.0440 8.4578 124.0535 58.5339 41.7936 178.9364 12 S 4.1146 8.1446 112.4265 61.6502 62.2028 176.0930 13 L 3.9095 7.7594 121.1414 57.7132 40.9884 179.4469 14 F 3.7786 7.8688 117.5948 60.4695 38.7732 177.8899 15 K 4.1401 8.3241 118.0484 59.5927 31.8809 179.4647 16 Q 4.0469 8.1796 118.4535 58.8125 28.3699 178.3080 17 Q 4.0252 8.0618 120.1126 58.9608 29.1890 177.9283 18 I 4.1906 7.4125 109.8866 59.7237 38.3887 175.0074 19 E 3.6893 7.8903 118.7372 57.7673 27.3301 174.5762 20 F 4.6828 8.7242 121.3794 56.7777 40.0213 174.6979 21 E 4.2141 8.1416 127.9350 57.6973 30.1643 177.0277 22 E 3.9982 6.9969 117.0252 56.7567 29.8782 176.2778 23 D 4.9319 8.5572 118.7146 54.4190 41.6377 176.5721 24 D 4.9428 8.2160 117.4682 53.2291 39.7686 176.5864 25 R 4.7375 7.8644 116.7749 55.8921 31.8904 176.7811 26 D 4.3936 8.5190 121.0013 57.5956 40.8274 178.2365 27 E 3.8536 8.0724 119.0698 59.1104 29.7623 178.4447 28 L 3.6412 7.6885 119.7674 58.1372 42.1703 178.6864 29 I 3.8134 7.8509 119.9979 64.8793 36.9700 178.5135 30 T 3.6965 8.1613 116.7882 66.4135 68.1138 176.4589 31 L 3.9102 7.5764 121.9390 58.3251 42.0374 178.6105 32 Y 4.4035 7.9221 116.5197 61.0517 37.8000 178.4682 33 A 3.6734 8.3403 121.8445 55.2066 18.3019 179.7171 34 Q 4.0396 8.3584 116.6246 58.9995 28.6946 178.9685 35 A 4.0757 8.4521 121.7505 55.1504 18.4813 179.4578 36 A 4.0962 8.4529 119.6052 55.4042 18.2769 179.7017 37 F 4.2988 8.3596 117.9262 61.4811 39.6045 176.4119 38 D 4.4710 8.4813 116.9109 57.5432 41.3276 177.3667 39 Y 4.3317 8.3797 119.9940 60.9044 38.7742 178.9603 40 C 4.1016 8.1886 114.9025 60.5223 26.9584 175.7887 *42 R 4.1823 7.9965 122.2755 56.0488 31.8081 177.9313 43 W 4.0635 7.9920 126.9613 60.4593 30.9894 177.0629 44 C 4.2026 8.7752 116.4168 61.1024 28.1662 173.3473 45 D 4.1008 7.1168 117.4297 55.2038 39.5806 174.5638 46 E 3.9597 7.0222 120.1167 53.5304 29.4314 173.9029 47 P 4.1977 0.0000 0.0000 65.0302 31.6362 178.2526 48 A 3.9734 7.7050 120.2742 54.0598 18.3128 177.4957 49 W 4.8010 7.4936 115.4569 56.2011 28.1774 175.7331 50 K 4.4292 9.5142 124.1459 56.8721 33.1613 177.3548 51 V 4.5436 7.7347 109.7169 58.6717 35.5858 176.0216 52 A 3.9578 8.8260 123.2698 55.6710 17.9949 180.0503 53 A 4.0985 7.8702 116.2080 54.7801 18.6031 178.2957 54 D 4.4122 7.9348 114.9569 56.3366 41.1548 176.7969 55 I 2.9952 7.1838 120.7315 59.7590 37.3824 174.8778 56 P 4.2765 0.0000 0.0000 62.1195 33.2772 177.0777 57 A 3.8944 8.3843 120.7099 55.4046 18.3730 179.9610 58 A 3.9808 7.9836 118.7658 55.3413 18.4964 179.8862 59 V 3.6126 7.6244 116.2868 66.0270 31.6745 178.2330 60 K 4.1050 8.0146 118.1677 59.3513 31.8938 179.4933 61 G 3.6271 8.1625 105.8534 47.7498 0.0000 175.6393 62 A 4.0532 8.0416 123.2509 54.7474 18.3966 179.8490 63 V 3.7068 8.0216 116.7739 66.3092 31.6177 178.0733 64 L 4.2478 8.0492 118.6369 58.0188 41.4776 179.6665 65 L 4.0340 7.9914 118.5885 57.8840 41.3854 179.8232 66 V 3.5891 7.9196 117.0620 65.7197 31.5486 177.3445 67 F 4.3285 8.6948 119.6599 61.6138 39.5402 176.7598 68 A 3.8381 8.4515 120.2662 54.7521 18.0264 179.5712 69 D 4.3678 7.8725 114.3461 54.9026 41.0024 177.8192 *71 F 3.9224 7.9942 121.1195 57.2950 40.9324 175.7423 72 E 3.8685 7.9520 118.5771 57.8175 29.5725 175.8868 73 H 4.6903 7.8117 115.2225 54.1465 29.5535 173.5193 74 R 4.2367 8.3322 123.1065 56.3011 30.8238 176.9827 75 T 4.6013 7.3465 107.2478 59.2085 71.2122 174.2686 76 A 4.0958 8.5843 126.2157 54.4115 18.7711 177.5834 77 Q 4.6957 7.7428 113.0485 54.0836 32.5849 174.5875 78 S 4.7192 8.0796 113.2042 56.4763 66.0716 174.2817 79 E 4.1086 8.7412 120.5691 58.1002 29.5991 177.4659 80 V 4.3569 7.2878 111.8241 58.7195 34.4137 175.1737 81 Q 3.7621 8.6380 125.5628 56.3611 29.3061 175.4319 82 L 4.3158 7.9302 124.7313 53.3883 43.2334 175.3088 83 Y 4.6634 7.9725 120.0773 55.6679 40.0192 175.3816 84 E 3.9231 8.7578 125.5419 56.1380 30.4041 175.5286 85 N 4.5956 8.6896 124.5658 52.4787 39.2268 175.3874 86 A 4.0601 8.6049 128.2456 54.4581 18.2373 178.5695 87 A 3.9687 8.2395 118.9753 55.0522 18.4006 179.4596 88 A 4.0686 7.5245 118.8943 55.3791 18.6398 179.3998 89 E 3.7186 7.9217 114.2188 58.8190 31.4482 178.4049 90 R 4.2700 7.7282 120.0208 56.0795 27.7198 176.3728 *93 F 5.1528 7.9705 123.3442 58.1524 41.4790 176.4806 94 I 3.9399 7.6374 110.6210 62.7024 37.4875 175.9407 95 H 5.0185 8.0516 116.7944 55.4254 29.8983 173.2807 96 R 4.0038 7.6791 120.1484 55.8511 30.4639 176.0216 97 N 4.3102 8.5275 122.4837 53.8564 38.8152 174.4592 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 A 8.26 4.38 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 3 I 7.75 3.98 2.26 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 1.00 0.00 0.00 4 D 8.35 4.61 0.00 2.66 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 V 8.22 2.67 1.64 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 0.79 0.00 0.00 0.92 0.00 0.00 6 L 7.79 5.00 0.00 1.64 1.75 0.89 1.02 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 7 D 7.79 4.46 0.00 2.80 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 8 V 7.47 3.88 1.95 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 0.76 0.00 0.00 0.73 0.00 0.00 9 I 7.87 4.38 1.30 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 -0.12 0.00 0.00 10 S 8.28 4.71 0.00 4.02 3.94 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 11 L 8.46 4.04 0.00 1.80 1.74 0.92 0.80 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 12 S 8.14 4.11 0.00 3.92 3.84 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 0.00 0.00 0.00 0.00 13 L 7.76 3.91 0.00 1.67 1.40 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.87 3.78 0.00 3.01 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.32 4.14 0.00 2.04 2.22 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.75 7.81 16 Q 8.18 4.05 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 17 Q 8.06 4.03 0.00 2.04 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 18 I 7.41 4.19 1.39 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.84 0.76 0.00 0.00 19 E 7.89 3.69 0.00 2.22 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 2.27 2.26 0.00 20 F 8.72 4.68 0.00 2.62 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 21 E 8.14 4.21 0.00 1.85 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 0.00 2.22 2.26 0.00 22 E 7.00 4.00 0.00 1.17 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 2.18 2.04 0.00 23 D 8.56 4.93 0.00 2.65 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 24 D 8.22 4.94 0.00 2.82 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 25 R 7.86 4.74 0.00 1.93 1.87 0.00 3.32 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.72 0.00 26 D 8.52 4.39 0.00 2.78 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 27 E 8.07 3.85 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 2.32 2.33 0.00 28 L 7.69 3.64 0.00 1.63 1.61 0.57 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.85 3.81 1.98 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.47 1.08 0.00 0.00 30 T 8.16 3.70 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 1.15 0.00 0.00 31 L 7.58 3.91 0.00 1.77 1.59 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.92 4.40 0.00 3.38 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 33 A 8.34 3.67 0.39 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 34 Q 8.36 4.04 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 35 A 8.45 4.08 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 36 A 8.45 4.10 1.66 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 0.00 0.00 37 F 8.36 4.30 0.00 3.16 3.35 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 38 D 8.48 4.47 0.00 2.85 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 39 Y 8.38 4.33 0.00 3.18 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 40 C 8.19 4.10 0.00 3.08 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 *42 R 8.00 4.18 0.00 1.82 1.98 0.00 3.27 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 0.00 43 W 7.99 4.06 0.00 2.88 3.19 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 44 C 8.78 4.20 0.00 3.20 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 45 D 7.12 4.10 0.00 2.90 2.47 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 46 E 7.02 3.96 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 1.47 1.47 0.00 47 P 0.00 4.20 0.00 1.98 2.03 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 48 A 7.71 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.49 4.80 0.00 3.45 3.06 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 50 K 9.51 4.43 0.00 1.77 1.90 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.59 1.58 7.81 51 V 7.73 4.54 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 0.91 0.00 0.00 1.03 0.00 0.00 52 A 8.83 3.96 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 53 A 7.87 4.10 1.28 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 0.00 0.00 0.00 54 D 7.93 4.41 0.00 2.91 2.85 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 0.00 0.00 0.00 55 I 7.18 3.00 1.74 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.91 0.72 0.00 0.00 56 P 0.00 4.28 0.00 1.89 1.95 0.00 2.31 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 57 A 8.38 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.98 1.43 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 0.00 0.00 59 V 7.62 3.61 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 1.05 0.00 0.00 0.93 0.00 0.00 60 K 8.01 4.11 0.00 1.98 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.58 7.81 61 G 8.16 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.05 1.43 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 0.00 0.00 63 V 8.02 3.71 2.39 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 1.34 0.00 0.00 1.25 0.00 0.00 64 L 8.05 4.25 0.00 1.93 1.92 0.81 0.04 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 65 L 7.99 4.03 0.00 1.95 1.75 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.92 3.59 2.22 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 0.76 0.00 0.00 0.99 0.00 0.00 67 F 8.69 4.33 0.00 3.15 3.59 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 68 A 8.45 3.84 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 69 D 7.87 4.37 0.00 2.86 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 *71 F 7.99 3.92 0.00 2.38 2.80 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 72 E 7.95 3.87 0.00 1.61 1.70 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 2.53 2.38 0.00 73 H 7.81 4.69 0.00 3.07 3.13 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.24 0.00 1.71 1.90 0.00 3.25 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.40 0.00 75 T 7.35 4.60 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 1.17 0.00 0.00 76 A 8.58 4.10 1.28 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 0.00 0.00 0.00 77 Q 7.74 4.70 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 78 S 8.08 4.72 0.00 3.84 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 79 E 8.74 4.11 0.00 1.94 2.03 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 2.29 2.37 0.00 80 V 7.29 4.36 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 0.70 0.00 0.00 0.89 0.00 0.00 81 Q 8.64 3.76 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 1.87 1.46 0.00 82 L 7.93 4.32 0.00 1.46 1.38 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.97 4.66 0.00 2.98 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 84 E 8.76 3.92 0.00 1.94 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 0.00 2.29 2.28 0.00 85 N 8.69 4.60 0.00 2.78 2.70 0.00 0.00 7.10 8.15 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 86 A 8.60 4.06 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 87 A 8.24 3.97 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 88 A 7.52 4.07 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 89 E 7.92 3.72 0.00 1.88 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 2.26 2.43 0.00 90 R 7.73 4.27 0.00 2.07 1.99 0.00 3.15 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 *93 F 7.97 5.15 0.00 3.49 3.27 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 94 I 7.64 3.94 1.85 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 1.58 0.81 1.05 0.00 0.00 95 H 8.05 5.02 0.00 3.39 3.81 0.00 5.89 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.68 4.00 0.00 1.68 1.73 0.00 2.81 0.00 0.00 2.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.34 0.00 97 N 8.53 4.31 0.00 2.64 2.48 0.00 0.00 7.04 8.43 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 * Residues marked with a * may have inaccurate shift predictions.