NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *12 F 4.6503 8.3249 119.0052 56.3842 39.4110 175.9815 13 E 3.9938 9.6964 117.0158 59.0914 30.3655 175.8571 14 L 4.6586 8.5849 121.9134 51.5551 43.2270 176.4996 15 R 3.9073 8.4643 122.3706 59.0414 30.2325 176.0770 16 P 4.2505 0.0000 0.0000 65.6805 31.1969 178.5225 17 V 3.5735 7.9246 117.0642 65.9529 31.0981 177.9099 18 I 3.7713 7.6607 118.6696 64.6289 36.8094 178.3448 19 G 3.7329 8.0131 105.7301 47.7984 0.0000 175.5317 20 L 4.1454 8.0500 120.7244 56.9208 41.7717 178.5411 21 T 4.4560 7.9597 110.4094 61.1190 69.1895 175.3055 22 R 4.0442 7.0517 120.2816 57.8762 29.8252 181.7008 23 G 4.0268 9.0515 110.5382 44.4506 0.0000 173.0114 24 L 4.6106 7.1708 119.3582 53.0077 43.5463 177.3218 25 S 4.4609 8.2398 116.9745 58.0371 65.3515 175.5537 26 S 4.1608 8.6700 118.2034 61.5403 62.4614 176.9872 27 A 4.0116 7.9413 123.1894 55.4256 18.2692 179.3107 28 D 4.3597 7.9559 116.9985 57.4825 40.8293 179.1295 29 I 3.7614 7.7653 120.4492 64.1062 36.9865 178.0619 30 E 3.8550 8.3449 120.5649 59.2941 29.4633 178.9329 31 T 3.8625 7.9283 115.9050 66.7022 68.5759 176.5399 32 L 4.0070 7.8561 120.7738 58.0622 41.6337 179.8235 33 T 3.8139 8.0548 115.4470 66.5369 68.3844 176.6756 34 A 4.0147 8.3525 123.1086 55.1924 18.3583 179.3377 35 N 4.2499 8.2795 114.7649 56.5280 38.6169 177.5146 36 A 3.9986 8.0781 122.0562 55.1492 18.3632 179.8117 37 I 3.7030 7.8822 118.3833 64.5478 37.1057 178.8826 38 R 3.9353 8.1644 119.0188 59.1856 29.8130 178.9009 39 L 4.1419 8.1560 120.2579 58.3189 42.0534 178.4186 40 H 4.2967 8.3764 119.6977 58.7093 29.7903 177.2287 41 R 3.7784 7.8364 120.1883 59.4176 29.9054 178.5610 42 Q 3.9896 7.8960 117.5604 59.0329 28.7259 178.7806 43 L 4.0136 8.1730 120.2406 57.5118 41.5972 179.3718 44 L 3.9058 7.9703 120.5019 58.2073 42.0685 178.9065 45 E 4.0657 8.2678 118.4977 58.8947 29.2733 179.2195 46 K 4.1455 8.2385 119.8881 59.4298 32.2253 178.8227 47 A 4.1451 8.0899 121.2276 55.0881 18.3237 179.0626 48 D 4.3825 8.2825 116.6960 57.7024 41.0749 178.5343 49 Q 4.0758 8.0365 117.5313 58.9902 28.7030 178.5130 50 L 4.1936 7.9640 119.8113 57.7432 41.7748 179.2599 51 F 3.5984 8.5948 120.7647 61.1841 39.0335 177.0095 52 Q 4.0833 7.9925 116.7635 58.4250 28.5136 177.9762 53 V 4.1969 6.8422 109.0503 60.8917 31.8375 176.1205 54 L 4.0892 7.1209 120.2730 53.3875 42.2072 176.0001 55 P 4.3212 0.0000 0.0000 62.7224 33.1656 176.8970 56 D 4.2462 8.6206 119.1382 57.7406 41.1080 178.4941 57 D 4.3012 8.0203 118.9791 56.5194 39.1095 178.5756 58 I 4.1436 7.5640 122.5161 63.4474 36.9207 178.4794 59 K 3.9133 7.6370 118.4803 59.3654 31.9198 179.1636 60 I 4.0124 7.8883 119.2630 62.1169 37.0752 176.8585 61 G 3.9056 7.6930 107.6311 46.2282 0.0000 174.3117 62 T 4.2967 7.9157 110.9251 61.4002 70.1034 174.6745 63 A 4.7358 7.7098 123.8315 50.0512 22.0259 174.4236 64 A 4.6577 8.5217 122.8422 51.5024 22.2780 175.7760 65 G 3.8166 9.1965 106.5677 44.6771 0.0000 173.6782 66 G 4.0579 8.7165 104.6058 44.8705 0.0000 174.4950 67 E 3.9410 8.8524 120.5340 59.1722 29.7529 179.1730 68 Q 3.9749 8.0125 119.1525 59.4668 29.2782 177.4397 69 H 4.3936 8.2253 118.8445 59.2736 29.8708 177.1184 70 L 4.0037 8.1385 120.9960 57.6420 41.5563 178.9959 71 E 3.9380 8.3106 119.4409 59.3103 29.5418 178.3442 72 Y 4.1667 8.0359 119.2131 60.7684 38.8588 177.8441 73 I 3.4444 7.8381 120.7277 64.4750 37.2263 178.3412 74 E 3.9337 8.5336 119.3922 59.1281 29.1818 179.3364 75 A 3.9721 7.6751 120.6490 55.3433 18.3809 179.6410 76 M 3.8601 7.8071 117.2499 58.2658 31.8636 179.0815 77 I 3.6959 7.9858 120.4542 64.3309 37.3111 177.9751 78 E 3.8890 8.1662 120.1097 59.4499 29.4150 178.5343 79 M 3.9971 7.9553 118.1071 59.0496 32.1050 177.9544 80 H 4.2190 8.2588 115.1822 58.7506 29.0339 177.3424 81 A 4.1290 8.3556 122.9840 55.3178 18.0651 179.5541 82 Q 3.9287 8.2900 117.8365 59.2997 28.9786 178.2176 83 M 4.1142 7.8449 119.9390 58.1879 31.9285 178.6864 84 S 4.1039 7.9212 114.4906 61.3184 62.9688 176.5447 85 A 3.9774 7.8092 124.0193 54.7260 18.0059 179.7755 86 V 3.4664 7.5480 116.2651 66.3767 31.7701 177.9132 87 N 4.3033 8.4316 116.5517 56.4692 38.3080 177.6979 88 T 3.8463 7.9663 117.1250 66.5527 68.5129 176.8055 89 L 3.8902 8.0205 120.9905 57.8180 41.6866 179.6559 90 V 3.5415 8.0702 118.6039 66.0076 31.1718 178.1307 91 G 3.6724 7.9100 104.2617 47.9199 0.0000 175.2699 92 L 4.1581 7.5359 120.2572 57.2879 41.8005 178.9138 93 L 3.9289 7.8817 120.0721 56.2030 42.0817 178.0228 94 G 4.0405 9.6018 106.0741 44.9347 0.0000 172.3640 95 F 4.6939 6.7748 111.9191 56.2358 40.1588 173.4103 96 I 4.2667 8.3316 122.5989 58.7995 37.4118 174.3788 97 P 4.6316 0.0000 0.0000 62.3212 31.9863 175.6655 98 K 4.3393 8.5075 121.1867 55.7764 32.6869 176.7608 99 V 4.3216 8.2708 118.7203 61.6010 33.2501 175.9504 100 S 4.1835 7.7987 118.8850 58.7328 62.3562 174.1590 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 *12 F 8.32 4.65 0.00 2.32 1.93 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 13 E 9.70 3.99 0.00 2.15 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 2.30 2.32 0.00 14 L 8.58 4.66 0.00 1.65 1.54 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.46 3.91 0.00 1.84 2.00 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 16 P 0.00 4.25 0.00 2.14 2.11 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 17 V 7.92 3.57 2.14 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 1.01 0.00 0.00 0.94 0.00 0.00 18 I 7.66 3.77 1.98 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 1.44 0.71 0.90 0.00 0.00 19 G 8.01 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.05 4.15 0.00 1.78 1.73 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.96 4.46 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 1.24 0.00 0.00 22 R 7.05 4.04 0.00 1.89 1.76 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 1.58 1.45 0.00 23 G 9.05 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 0.00 0.00 0.00 24 L 7.17 4.61 0.00 1.69 1.59 0.91 1.27 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 25 S 8.24 4.46 0.00 4.06 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 26 S 8.67 4.16 0.00 3.94 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 27 A 7.94 4.01 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 28 D 7.96 4.36 0.00 2.81 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 29 I 7.77 3.76 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.83 0.00 0.00 30 E 8.34 3.85 0.00 2.15 2.14 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 2.36 2.39 0.00 31 T 7.93 3.86 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 1.21 0.00 0.00 32 L 7.86 4.01 0.00 1.85 1.69 0.90 0.77 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 33 T 8.05 3.81 4.27 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 1.13 0.00 0.00 34 A 8.35 4.01 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 35 N 8.28 4.25 0.00 2.99 2.88 0.00 0.00 6.92 6.37 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 36 A 8.08 4.00 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 37 I 7.88 3.70 2.02 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 1.43 0.93 0.00 0.00 38 R 8.16 3.94 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 39 L 8.16 4.14 0.00 1.76 1.82 0.92 0.79 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 40 H 8.38 4.30 0.00 3.42 3.48 0.00 5.88 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 41 R 7.84 3.78 0.00 1.87 2.05 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 42 Q 7.90 3.99 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 43 L 8.17 4.01 0.00 1.79 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.97 3.91 0.00 1.65 1.74 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.27 4.07 0.00 2.07 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 2.60 0.00 46 K 8.24 4.15 0.00 1.92 1.96 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 47 A 8.09 4.15 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 48 D 8.28 4.38 0.00 2.91 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 49 Q 8.04 4.08 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.82 0.00 50 L 7.96 4.19 0.00 2.16 1.98 0.98 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.59 3.60 0.00 2.97 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 52 Q 7.99 4.08 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.03 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 53 V 6.84 4.20 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 0.66 0.00 0.00 0.99 0.00 0.00 54 L 7.12 4.09 0.00 1.21 1.26 0.15 0.85 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 55 P 0.00 4.32 0.00 2.19 2.11 0.00 3.58 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 1.96 1.96 0.00 56 D 8.62 4.25 0.00 2.67 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 57 D 8.02 4.30 0.00 2.95 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 58 I 7.56 4.14 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.63 0.00 0.00 59 K 7.64 3.91 0.00 1.76 1.79 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.48 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.71 1.30 7.81 60 I 7.89 4.01 1.95 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 1.44 0.34 0.91 0.00 0.00 61 G 7.69 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 62 T 7.92 4.30 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 63 A 7.71 4.74 1.24 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 0.00 0.00 64 A 8.52 4.66 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 65 G 9.20 3.82 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 0.00 0.00 0.00 66 G 8.72 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 0.00 0.00 0.00 67 E 8.85 3.94 0.00 2.06 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 2.39 2.38 0.00 68 Q 8.01 3.97 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 69 H 8.23 4.39 0.00 3.28 3.57 0.00 5.92 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 70 L 8.14 4.00 0.00 1.92 1.70 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.31 3.94 0.00 2.08 2.18 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 2.36 2.35 0.00 72 Y 8.04 4.17 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 73 I 7.84 3.44 1.97 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 1.49 0.75 0.86 0.00 0.00 74 E 8.53 3.93 0.00 2.12 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 2.57 0.00 75 A 7.68 3.97 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 76 M 7.81 3.86 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.85 0.00 77 I 7.99 3.70 1.97 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 1.39 0.88 0.90 0.00 0.00 78 E 8.17 3.89 0.00 2.13 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 2.29 2.31 0.00 79 M 7.96 4.00 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 80 H 8.26 4.22 0.00 3.26 3.29 0.00 5.72 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 81 A 8.36 4.13 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 82 Q 8.29 3.93 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 83 M 7.84 4.11 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 84 S 7.92 4.10 0.00 3.99 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 0.00 85 A 7.81 3.98 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 86 V 7.55 3.47 2.19 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 1.10 0.00 0.00 0.95 0.00 0.00 87 N 8.43 4.30 0.00 2.72 2.83 0.00 0.00 7.12 6.70 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 88 T 7.97 3.85 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 1.24 0.00 0.00 89 L 8.02 3.89 0.00 1.68 1.65 0.89 0.87 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 90 V 8.07 3.54 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 0.96 0.00 0.00 0.94 0.00 0.00 91 G 7.91 3.67 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 0.00 0.00 0.00 92 L 7.54 4.16 0.00 1.75 1.69 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.88 3.93 0.00 1.32 1.30 0.69 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 94 G 9.60 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 95 F 6.77 4.69 0.00 3.12 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 96 I 8.33 4.27 1.94 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 1.47 0.65 0.94 0.00 0.00 97 P 0.00 4.63 0.00 2.26 2.22 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 98 K 8.51 4.34 0.00 1.76 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.50 1.47 7.81 99 V 8.27 4.32 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 0.87 0.00 0.00 0.95 0.00 0.00 100 S 7.80 4.18 0.00 3.94 3.77 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 * Residues marked with a * may have inaccurate shift predictions.