NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4396 8.1933 116.7965 58.6879 64.1841 173.8436 6 D 4.5456 8.6163 123.0906 54.0092 40.8176 175.3911 7 K 4.1200 7.4366 118.3948 56.3172 33.4448 176.7995 8 L 3.8565 8.1546 123.1295 56.9364 42.5755 176.2407 9 Y 5.1977 7.2322 114.6500 56.0806 42.0483 174.7436 10 R 5.3074 8.7475 121.0243 54.7795 33.4601 174.6637 11 V 5.0469 8.3914 124.6658 60.1755 34.5563 174.2905 12 E 4.5180 8.4131 118.9541 55.9237 33.3939 174.0444 13 Y 4.9226 8.2182 118.1535 57.0661 38.8054 175.6772 14 A 3.7100 9.0699 126.5795 52.7588 18.8975 178.6105 15 K 3.9733 8.5558 120.8354 57.9544 32.7105 176.4250 16 S 4.5807 7.5444 111.9756 57.2439 66.0054 174.1674 17 G 4.3798 8.5027 106.5096 45.7680 0.0000 174.6679 18 R 4.1637 7.7808 120.2898 57.4089 30.9318 177.2745 19 A 4.2971 7.8355 120.3760 52.0103 19.4429 176.4770 20 S 5.0761 8.4642 116.4490 56.3124 65.5785 173.6012 21 C 4.3498 8.7669 123.9680 59.7155 31.9973 174.2136 22 K 4.1779 8.3473 125.0291 57.2791 31.9026 177.5128 23 K 4.3852 8.0353 119.7965 58.0934 32.9956 176.8468 24 C 4.3891 8.0345 111.9567 57.7248 30.4730 175.4153 25 S 4.2789 8.3009 113.8836 58.5933 62.9804 170.2077 26 E 4.4491 7.5792 119.8395 55.9592 30.4934 176.6720 27 S 4.6785 8.6448 116.5037 58.7016 64.6723 173.7470 28 I 4.3586 8.3676 122.8839 59.0050 38.4420 173.8691 29 P 4.4854 0.0000 0.0000 61.8748 31.9278 176.1785 30 K 4.1449 8.3203 121.9268 57.5419 32.3439 177.0201 31 D 4.7206 8.8359 123.8891 54.6204 40.2587 174.7223 32 S 4.5327 7.6918 114.4077 57.6087 64.7159 173.4025 33 L 4.6111 8.5929 124.1737 55.5850 42.7334 176.0360 34 R 4.9130 8.5773 122.6754 54.9203 33.2685 173.6469 *36 A 5.1180 8.3743 118.2212 52.8387 20.0502 176.7757 37 I 4.6797 8.0532 121.1206 60.4174 41.3460 174.4537 *39 V 4.0707 8.2037 111.7602 61.1859 33.3802 175.1037 40 Q 4.2816 8.4450 123.2769 55.8867 29.1357 175.9729 41 S 4.1342 8.6484 120.3855 56.6819 63.2332 171.7611 42 P 4.4436 0.0000 0.0000 62.9465 31.8173 175.4465 *44 F 4.5644 7.8231 112.7617 57.9205 38.9079 174.8852 45 D 4.5253 8.4799 121.3278 51.4118 39.4579 174.8014 46 G 4.1003 7.1678 112.4776 45.1297 0.0000 169.3018 47 K 4.8926 8.6245 118.3884 54.6447 34.0491 176.3530 48 V 4.4216 8.3914 117.6585 59.2971 32.8381 174.1519 49 P 4.1739 0.0000 0.0000 62.8032 32.4438 175.5694 50 H 4.6326 8.7606 121.5104 54.2525 29.8563 174.3582 51 W 5.1243 8.3727 123.8552 56.2450 30.6982 175.5937 52 Y 5.1699 8.8514 119.2705 55.4494 41.8069 175.6103 53 H 4.3750 8.9078 119.3661 56.1353 30.5397 176.1040 54 F 4.2602 9.1411 126.3509 62.0523 39.0116 177.4271 55 S 4.3156 8.4009 111.8745 61.6637 62.3884 175.7002 56 C 4.2920 8.3013 118.9555 62.5158 26.3423 175.4904 57 F 3.3056 8.1600 122.5132 60.9167 38.9280 177.0984 58 W 4.1853 7.8255 117.3241 58.7985 28.7053 178.3189 59 K 4.1578 7.6846 116.9646 58.0664 31.8254 177.9776 60 V 3.8433 7.3466 110.2543 61.1717 31.8198 176.4993 61 G 3.8903 7.3527 107.8770 45.3733 0.0000 173.7512 62 H 4.2199 6.3762 115.8089 55.2237 29.1413 174.9201 63 S 4.7371 7.9566 115.7860 56.7611 65.5012 173.2573 64 I 4.6749 8.4345 125.5112 59.9638 40.8372 174.9993 65 R 4.2665 9.1104 123.3275 58.0378 31.1376 177.2388 66 H 4.7660 8.4384 118.9157 52.3523 29.5365 172.5059 67 P 4.0843 0.0000 0.0000 65.3724 31.1694 177.4069 68 D 3.9269 7.3920 115.7899 56.3379 38.9432 178.3631 69 V 4.1733 7.5491 110.3984 61.6271 32.8037 177.0313 70 E 4.5698 8.4746 118.0202 55.7486 29.8299 175.5802 71 V 4.6651 7.4977 119.4923 60.5261 32.7688 174.3320 72 D 4.3704 9.0751 128.8016 55.7671 41.7961 177.0089 73 G 4.3301 9.0654 114.4003 46.0974 0.0000 174.7721 74 F 4.0541 8.2225 123.1344 61.2452 39.4149 177.2398 75 S 4.2724 8.2046 112.3556 60.2034 63.3194 174.2938 76 E 4.3690 7.8707 119.9021 56.5838 29.8035 176.3130 77 L 4.4442 7.2600 119.2364 53.9062 42.5526 177.7135 78 R 4.1681 8.6865 120.2968 55.8213 31.9365 177.6777 79 W 4.2568 9.2299 132.1987 61.7776 30.7342 177.9383 80 D 4.3005 8.1048 116.3718 57.7828 41.0552 178.3680 81 D 4.3166 8.0215 118.8372 56.8715 41.0250 178.7245 82 Q 3.4983 7.8899 119.0045 58.8783 28.4843 178.8353 83 Q 3.8447 7.8156 119.0192 58.5028 28.7055 178.6624 84 K 3.8224 7.7541 120.2274 59.4775 32.2432 178.8823 85 V 3.8870 7.7941 118.6046 66.1913 31.4410 177.9318 86 K 3.9614 8.1996 119.2365 59.2473 31.9838 179.0434 87 K 3.8806 8.3252 119.1114 59.8925 31.9142 179.5027 88 T 3.5401 8.3691 116.0618 66.2060 68.2304 176.5990 89 A 3.5977 7.8880 122.7103 55.2696 18.2941 179.6759 90 E 3.9350 7.8294 115.2462 59.1121 29.5761 178.7549 91 A 4.1452 7.7864 118.6606 51.9994 18.4743 178.1056 92 G 3.8463 7.7635 104.8966 44.8970 0.0000 174.4463 93 G 3.4540 7.0142 113.5411 46.1513 0.0000 172.5610 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 5 S 8.19 4.44 0.00 4.12 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 6 D 8.62 4.55 0.00 2.71 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 7 K 7.44 4.12 0.00 1.81 1.90 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.38 7.81 8 L 8.15 3.86 0.00 1.22 0.75 0.66 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.23 5.20 0.00 2.90 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 10 R 8.75 5.31 0.00 1.79 1.63 0.00 3.31 0.00 0.00 3.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.75 0.00 11 V 8.39 5.05 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 0.89 0.00 0.00 1.00 0.00 0.00 12 E 8.41 4.52 0.00 2.01 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 0.00 2.20 2.00 0.00 13 Y 8.22 4.92 0.00 2.92 3.04 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 14 A 9.07 3.71 1.21 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 0.00 0.00 15 K 8.56 3.97 0.00 1.70 1.85 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.41 1.53 7.81 16 S 7.54 4.58 0.00 3.90 3.90 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 17 G 8.50 4.38 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 0.00 18 R 7.78 4.16 0.00 1.81 1.99 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 19 A 7.84 4.30 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 20 S 8.46 5.08 0.00 4.05 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 21 C 8.77 4.35 0.00 2.93 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 22 K 8.35 4.18 0.00 0.97 1.64 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.31 7.81 23 K 8.04 4.39 0.00 1.96 2.01 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.47 7.81 24 C 8.03 4.39 0.00 3.20 3.24 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 0.00 25 S 8.30 4.28 0.00 4.21 4.21 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 26 E 7.58 4.45 0.00 2.11 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 2.38 2.44 0.00 27 S 8.64 4.68 0.00 4.05 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 28 I 8.37 4.36 1.76 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 0.91 1.06 0.83 0.00 0.00 29 P 0.00 4.49 0.00 2.20 1.98 0.00 3.70 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 30 K 8.32 4.14 0.00 1.69 1.71 0.00 1.67 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.32 7.81 31 D 8.84 4.72 0.00 2.85 2.77 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 0.00 0.00 0.00 0.00 32 S 7.69 4.53 0.00 4.00 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 33 L 8.59 4.61 0.00 1.76 1.69 0.61 0.44 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 34 R 8.58 4.91 0.00 2.12 1.98 0.00 2.21 0.00 0.00 2.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 0.00 *36 A 8.37 5.12 0.09 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 0.00 0.00 37 I 8.05 4.68 1.93 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 1.25 1.58 1.00 0.00 0.00 *39 V 8.20 4.07 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 0.64 0.00 0.00 0.82 0.00 0.00 40 Q 8.44 4.28 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 41 S 8.65 4.13 0.00 2.93 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 42 P 0.00 4.44 0.00 2.14 2.03 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 *44 F 7.82 4.56 0.00 3.21 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 45 D 8.48 4.53 0.00 2.68 2.70 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 46 G 7.17 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 0.00 0.00 0.00 0.00 47 K 8.62 4.89 0.00 1.69 1.74 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.41 7.81 48 V 8.39 4.42 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 0.85 0.00 0.00 0.78 0.00 0.00 49 P 0.00 4.17 0.00 0.64 1.19 0.00 3.44 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 50 H 8.76 4.63 0.00 3.12 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.37 5.12 0.00 3.26 3.03 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 52 Y 8.85 5.17 0.00 3.12 2.97 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 53 H 8.91 4.38 0.00 3.41 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.14 4.26 0.00 3.11 3.30 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 55 S 8.40 4.32 0.00 4.07 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 56 C 8.30 4.29 0.00 3.41 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 57 F 8.16 3.31 0.00 2.88 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 58 W 7.83 4.19 0.00 3.38 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 59 K 7.68 4.16 0.00 1.92 1.86 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.61 7.81 60 V 7.35 3.84 1.88 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 0.70 0.00 0.00 0.32 0.00 0.00 61 G 7.35 3.89 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 0.00 0.00 0.00 62 H 6.38 4.22 0.00 1.40 2.10 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 7.96 4.74 0.00 3.78 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 4.67 2.01 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.07 1.00 0.00 0.00 65 R 9.11 4.27 0.00 1.69 1.58 0.00 3.14 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 66 H 8.44 4.77 0.00 3.09 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.08 0.00 1.12 1.85 0.00 3.45 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 68 D 7.39 3.93 0.00 2.74 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 69 V 7.55 4.17 2.07 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 0.79 0.00 0.00 0.94 0.00 0.00 70 E 8.47 4.57 0.00 2.16 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 2.35 2.48 0.00 71 V 7.50 4.67 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 1.04 0.00 0.00 0.93 0.00 0.00 72 D 9.08 4.37 0.00 2.78 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 73 G 9.07 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.05 0.00 3.11 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 75 S 8.20 4.27 0.00 4.11 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 76 E 7.87 4.37 0.00 2.29 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 2.35 0.00 77 L 7.26 4.44 0.00 1.40 1.42 0.68 0.36 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 78 R 8.69 4.17 0.00 1.98 1.93 0.00 3.12 0.00 0.00 2.96 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 79 W 9.23 4.26 0.00 3.38 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 80 D 8.10 4.30 0.00 2.90 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 81 D 8.02 4.32 0.00 2.85 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 82 Q 7.89 3.50 0.00 1.68 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 1.61 2.28 0.00 83 Q 7.82 3.84 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 84 K 7.75 3.82 0.00 1.71 1.68 0.00 0.99 0.00 0.00 1.36 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.36 7.81 85 V 7.79 3.89 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 1.26 0.00 0.00 1.06 0.00 0.00 86 K 8.20 3.96 0.00 2.06 1.78 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.42 7.81 87 K 8.33 3.88 0.00 1.98 1.78 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.59 7.81 88 T 8.37 3.54 4.11 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 -0.11 0.00 0.00 89 A 7.89 3.60 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.83 3.93 0.00 2.04 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 2.31 2.46 0.00 91 A 7.79 4.15 1.18 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 0.00 0.00 92 G 7.76 3.85 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 0.00 0.00 0.00 93 G 7.01 3.45 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 0.00 * Residues marked with a * may have inaccurate shift predictions.