NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.1421 8.3449 121.7378 58.1906 30.0589 172.5756 10 S 2.9836 7.0814 112.2204 54.5862 65.7063 169.1193 11 E 4.2498 8.9147 121.2668 56.8858 31.9658 175.5659 12 R 4.7247 7.3958 116.1984 54.2138 32.5758 175.4242 13 F 4.8452 9.2292 122.9630 55.6325 41.4365 174.7614 14 N 5.1346 8.9402 121.7771 53.4773 39.3903 174.7675 15 V 4.8196 8.8706 115.9954 60.3814 37.5766 173.2634 16 Y 4.4983 8.9416 120.9907 56.2561 41.2391 174.5955 17 L 4.4214 8.3229 133.6079 53.9646 44.9963 173.4527 *19 P 4.4304 0.0000 0.0000 62.6097 31.1444 175.8934 20 S 4.7174 8.1321 115.4565 55.5363 66.0415 173.3239 21 P 4.4696 0.0000 0.0000 65.3640 31.2546 176.9816 22 N 4.7102 7.5543 113.8802 53.4443 39.3165 174.7167 23 L 4.8136 7.6656 119.5029 53.3624 44.3637 175.1575 24 D 4.8758 8.7269 123.0148 53.6639 41.3949 175.8332 25 V 4.5180 7.5349 116.4239 60.0808 33.5941 174.1755 26 H 4.6174 8.4243 116.3371 54.9686 31.5754 172.2558 27 G 3.0311 8.2108 105.7559 43.5388 0.0000 172.3401 28 E 4.7399 8.0835 116.5516 57.0188 30.6544 175.7936 29 C 4.8414 8.6764 115.2737 57.9881 34.0510 171.8256 30 A 5.2900 9.3582 120.8908 50.1375 21.1192 175.4372 31 L 5.0130 9.6004 126.3471 54.7970 43.9370 175.3892 32 Q 5.0532 9.4684 125.8495 54.7284 33.0881 173.2050 33 I 5.1261 8.6388 126.6918 60.0875 38.9791 175.3743 34 T 4.6228 9.0251 118.9277 59.6225 71.2625 173.3725 35 Y 4.1343 8.8415 121.4262 60.3489 38.6518 176.6978 36 E 4.3543 8.3188 117.1333 56.0048 31.7216 173.7936 37 Y 5.3269 8.1810 114.8934 57.2544 43.7368 173.4234 38 I 4.9262 8.7736 120.7912 60.0801 39.5427 175.1675 39 C 5.2729 9.9257 125.0455 57.8486 32.2525 172.9915 40 L 5.2566 8.5809 121.8316 53.1265 43.7738 175.6766 41 W 5.1206 9.3480 124.7463 54.7967 31.9066 175.7414 42 D 4.7598 9.1713 122.8096 54.7868 41.4481 177.0323 43 V 4.0413 8.3752 122.4600 64.6217 32.8049 177.3376 44 Q 4.0522 8.4123 117.8352 58.2773 28.7837 175.9888 45 N 4.8125 8.8054 120.7286 50.8895 38.9223 172.4086 46 P 5.1544 0.0000 0.0000 63.1079 31.2017 177.5644 47 R 4.2575 7.8318 118.1663 56.8021 31.0107 176.3914 48 V 4.1207 7.9028 119.4381 61.1775 31.9577 174.5287 49 K 3.7656 8.2784 129.1663 55.4065 32.5369 176.1729 50 L 4.1240 8.7627 127.6045 57.5938 42.3530 176.7273 51 I 3.8112 7.0604 115.9143 60.8563 41.1955 172.7843 52 S 4.9424 7.4502 119.1652 57.1350 67.1870 174.0862 53 W 5.2310 8.9751 121.1578 54.2452 33.0028 173.4782 54 P 4.2988 0.0000 0.0000 62.1464 31.2909 177.2894 55 L 3.8821 8.4571 121.6070 57.9365 41.6550 179.4944 56 S 4.2318 7.7824 110.6440 59.7521 63.0362 174.3615 57 A 4.3966 8.2636 124.5101 52.2054 18.6847 176.4023 58 L 4.7606 7.3179 116.8764 54.1840 41.7204 176.1639 59 R 4.1530 8.4723 126.4554 56.4694 29.5841 178.0986 60 R 4.7507 7.6226 117.5182 54.9382 34.8960 174.3345 61 Y 5.0940 7.8227 113.1419 56.8244 40.7572 173.5321 62 G 4.5744 8.8598 110.0761 45.7677 0.0000 171.0442 63 R 5.3473 8.1531 114.4762 55.5222 32.0041 173.2137 64 D 4.8736 8.7277 117.5108 53.4333 43.9886 174.9339 65 T 4.4060 8.5572 108.3748 62.5570 69.5152 174.8331 66 T 5.1133 7.4651 109.5312 60.3955 71.3268 172.9487 67 W 6.0614 8.0212 121.0336 55.7831 34.3577 173.4178 68 F 5.6758 9.6987 123.4208 57.3029 42.7079 173.3632 69 T 5.5034 8.5421 114.5290 60.3941 72.5126 172.3698 70 F 5.2936 7.8024 115.8166 55.9530 41.6199 172.3301 71 E 5.1537 9.3030 119.5303 54.7160 32.0987 174.9153 72 A 5.1560 9.5242 126.8652 50.6094 21.5823 177.8061 73 G 4.0245 9.6614 109.2230 45.0224 0.0000 173.4826 74 R 4.3513 8.0739 118.2622 55.3707 28.8800 175.0348 *76 C 4.3833 7.4233 115.3232 57.7404 31.3515 174.9626 77 E 3.9511 8.5861 120.1352 59.5857 29.2290 178.1667 78 T 3.8708 7.5946 107.9063 62.7815 69.0818 174.8592 79 G 3.8719 7.6332 108.1240 43.8544 0.0000 171.8694 80 E 4.9415 8.2658 118.9940 56.1540 30.0466 177.2355 81 G 3.9159 8.2316 112.6042 46.2502 0.0000 170.8176 82 L 4.7681 7.7778 121.8374 52.9353 43.9952 175.4081 83 F 4.3287 8.3096 124.4114 55.4793 42.3096 173.7475 84 I 4.7979 8.0639 124.4336 59.4877 39.1396 175.0490 85 F 5.3333 9.7465 125.8568 55.7902 42.7020 173.9460 86 Q 4.8520 9.3935 124.9689 55.7128 30.5027 174.3244 87 T 4.8190 8.3323 118.7905 61.9317 71.2250 173.8020 88 R 4.4466 8.7777 122.4171 56.7511 31.1889 177.4133 89 D 4.9442 8.8016 119.0693 53.9076 41.4256 178.1496 90 G 3.8790 8.1625 109.2934 48.2861 0.0000 175.8330 91 E 3.9516 8.0963 120.0593 59.1345 29.6925 179.1431 92 A 3.9836 7.8210 120.1898 55.1668 18.4839 179.5448 93 I 2.9555 7.7633 118.5531 64.3118 37.0248 178.0675 94 Y 4.0657 8.0112 120.4642 60.7918 38.6250 177.9987 95 Q 4.0704 8.3794 118.9625 58.9238 28.8472 178.8281 96 K 3.8611 7.8733 119.3491 59.5523 32.1447 179.5374 97 V 3.3062 7.5592 118.1847 66.0283 31.3614 177.4351 98 H 4.7302 8.3459 119.5050 58.9447 29.7520 176.6159 99 S 3.9657 8.6435 115.0078 61.8908 62.0790 176.3418 100 A 3.9037 8.6116 122.9000 54.8394 17.8072 179.4816 101 A 3.8445 7.6307 118.9427 55.1910 18.7989 179.5382 102 L 4.0543 8.1251 117.4506 57.4476 41.4414 179.4570 103 A 3.9308 7.6852 120.0988 55.2197 18.5597 179.3613 104 I 3.5415 7.6239 114.8122 62.5510 38.9060 176.3499 105 A 4.3480 7.6004 122.6746 52.0963 16.4457 177.4931 106 E 3.9556 7.9114 126.9279 57.1523 30.7064 176.0867 107 L 4.2423 7.6628 123.2567 55.9438 42.5205 173.0399 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 9 Q 8.34 4.14 0.00 2.15 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.37 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 10 S 7.08 2.98 0.00 2.72 3.49 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 0.00 0.00 0.00 0.00 11 E 8.91 4.25 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 12 R 7.40 4.72 0.00 1.54 1.74 0.00 2.97 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 13 F 9.23 4.85 0.00 3.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.94 5.13 0.00 2.70 2.85 0.00 0.00 6.88 7.68 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 15 V 8.87 4.82 2.44 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 0.91 0.00 0.00 1.41 0.00 0.00 16 Y 8.94 4.50 0.00 3.20 2.91 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 17 L 8.32 4.42 0.00 1.77 1.61 0.31 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 *19 P 0.00 4.43 0.00 2.07 1.92 0.00 3.73 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 1.90 1.92 0.00 20 S 8.13 4.72 0.00 3.84 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 21 P 0.00 4.47 0.00 2.18 2.20 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 22 N 7.55 4.71 0.00 3.02 3.12 0.00 0.00 6.73 7.73 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 23 L 7.67 4.81 0.00 1.86 1.71 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.73 4.88 0.00 2.66 2.63 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 25 V 7.53 4.52 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 0.87 0.00 0.00 0.93 0.00 0.00 26 H 8.42 4.62 0.00 3.41 3.28 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.21 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 0.00 0.00 0.00 28 E 8.08 4.74 0.00 2.06 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 0.00 2.29 2.34 0.00 29 C 8.68 4.84 0.00 3.33 3.14 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 30 A 9.36 5.29 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 31 L 9.60 5.01 0.00 1.74 1.63 0.50 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.47 5.05 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 33 I 8.64 5.13 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.88 0.00 0.00 34 T 9.03 4.62 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 1.35 0.00 0.00 35 Y 8.84 4.13 0.00 3.03 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 36 E 8.32 4.35 0.00 2.12 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 1.66 1.99 0.00 37 Y 8.18 5.33 0.00 2.87 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 38 I 8.77 4.93 2.03 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 1.09 0.93 1.05 0.00 0.00 39 C 9.93 5.27 0.00 2.75 2.38 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 40 L 8.58 5.26 0.00 1.62 1.73 1.45 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.35 5.12 0.00 3.27 3.14 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 42 D 9.17 4.76 0.00 2.88 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 43 V 8.38 4.04 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 0.91 0.00 0.00 0.99 0.00 0.00 44 Q 8.41 4.05 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 45 N 8.81 4.81 0.00 2.67 2.73 0.00 0.00 7.04 7.37 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 46 P 0.00 5.15 0.00 2.06 2.09 0.00 3.41 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 47 R 7.83 4.26 0.00 1.99 2.09 0.00 3.28 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 48 V 7.90 4.12 2.17 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 1.01 0.00 0.00 0.99 0.00 0.00 49 K 8.28 3.77 0.00 0.79 1.13 0.00 1.30 0.00 0.00 1.20 0.00 0.00 2.58 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.76 0.21 7.81 50 L 8.76 4.12 0.00 1.56 1.64 0.97 0.79 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 51 I 7.06 3.81 1.57 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.85 0.33 0.00 0.00 52 S 7.45 4.94 0.00 3.37 3.47 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 53 W 8.98 5.23 0.00 3.18 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 54 P 0.00 4.30 0.00 1.96 1.59 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 55 L 8.46 3.88 0.00 1.58 1.61 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.78 4.23 0.00 3.93 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 57 A 8.26 4.40 1.44 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 0.00 0.00 58 L 7.32 4.76 0.00 1.76 1.74 0.47 0.39 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 59 R 8.47 4.15 0.00 1.85 1.85 0.00 3.17 0.00 0.00 3.25 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 60 R 7.62 4.75 0.00 1.71 1.78 0.00 3.30 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 61 Y 7.82 5.09 0.00 3.08 3.07 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 62 G 8.86 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 5.35 0.00 2.24 2.25 0.00 2.65 0.00 0.00 2.93 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 64 D 8.73 4.87 0.00 2.85 2.94 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 65 T 8.56 4.41 4.23 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 1.21 0.00 0.00 66 T 7.47 5.11 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 1.07 0.00 0.00 67 W 8.02 6.06 0.00 3.32 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 68 F 9.70 5.68 0.00 3.07 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 69 T 8.54 5.50 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 1.12 0.00 0.00 70 F 7.80 5.29 0.00 3.21 2.95 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 0.00 0.00 0.00 0.00 71 E 9.30 5.15 0.00 1.99 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 2.19 2.15 0.00 72 A 9.52 5.16 1.68 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 0.00 0.00 73 G 9.66 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 0.00 0.00 0.00 74 R 8.07 4.35 0.00 1.81 1.93 0.00 3.31 0.00 0.00 3.42 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 *76 C 7.42 4.38 0.00 3.29 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 77 E 8.59 3.95 0.00 1.78 1.78 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 2.21 2.21 0.00 78 T 7.59 3.87 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 79 G 7.63 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 4.94 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 81 G 8.23 3.92 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 0.00 0.00 0.00 82 L 7.78 4.77 0.00 1.36 1.18 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.31 4.33 0.00 1.78 2.33 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 84 I 8.06 4.80 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.30 0.64 0.00 0.00 85 F 9.75 5.33 0.00 3.34 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 86 Q 9.39 4.85 0.00 2.18 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 87 T 8.33 4.82 4.37 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 1.38 0.00 0.00 88 R 8.78 4.45 0.00 1.85 1.94 0.00 3.36 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 89 D 8.80 4.94 0.00 2.52 2.38 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 90 G 8.16 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 0.00 0.00 0.00 91 E 8.10 3.95 0.00 1.98 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 0.00 2.38 2.32 0.00 92 A 7.82 3.98 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 93 I 7.76 2.96 1.26 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.17 -0.34 0.00 0.00 94 Y 8.01 4.07 0.00 3.25 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 95 Q 8.38 4.07 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.54 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 96 K 7.87 3.86 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.26 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.50 1.79 7.81 97 V 7.56 3.31 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 0.10 0.00 0.00 0.68 0.00 0.00 98 H 8.35 4.73 0.00 2.86 3.26 0.00 5.73 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.64 3.97 0.00 3.92 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 0.00 100 A 8.61 3.90 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 0.00 101 A 7.63 3.84 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 0.00 102 L 8.13 4.05 0.00 1.62 1.67 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.69 3.93 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 0.00 104 I 7.62 3.54 1.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.83 0.00 0.00 105 A 7.60 4.35 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 0.00 106 E 7.91 3.96 0.00 1.95 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 0.00 2.33 2.39 0.00 107 L 7.66 4.24 0.00 1.68 1.54 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.