NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3170 8.1727 120.1364 56.4354 34.0758 177.5374 3 Q 3.4332 7.9505 119.5306 57.1981 28.6855 176.3941 4 T 3.9487 8.6049 111.3589 64.7257 69.8475 175.7247 5 E 4.0917 8.0775 121.0483 59.0334 29.3998 178.8574 6 L 4.0479 8.7173 120.4954 57.9023 42.3615 178.3946 7 L 4.1912 7.6875 116.9396 54.8980 41.8944 177.0907 8 K 4.1055 7.1568 119.2292 57.5606 32.6212 175.9680 9 G 4.3227 8.9046 114.9341 46.4883 0.0000 176.0593 10 I 3.5563 7.4640 120.2731 63.8520 37.0841 178.1056 11 L 3.5246 7.7969 121.3264 57.9340 41.8387 178.6055 12 E 3.7825 7.9222 118.1515 59.4088 29.3770 179.5435 13 G 2.0000 6.5336 103.9161 47.1152 0.0000 175.8121 14 L 3.8168 7.3009 121.8021 57.0613 41.5287 179.8094 15 V 3.3885 7.7008 118.6247 65.8693 31.4619 177.8753 16 L 3.8671 7.6535 118.4592 57.7737 41.2840 179.2254 17 A 4.1433 7.8641 120.3984 55.5167 18.2335 179.7354 18 I 3.7128 7.9250 118.1623 64.7144 36.9653 178.8081 19 I 3.9189 7.6067 119.3966 64.3639 36.9578 177.8346 20 Q 4.1521 8.1039 119.7459 59.2167 28.9102 178.2619 21 R 4.0867 7.5968 118.7592 58.0015 30.6611 176.5462 22 K 4.6211 7.3938 117.0781 54.2699 35.5399 174.8897 23 E 4.4757 8.6906 126.6040 56.7301 30.3628 175.4174 24 T 5.6926 8.8602 119.2242 62.5103 71.4135 170.9628 25 Y 5.3314 8.1404 121.0466 54.8388 41.5763 177.1685 26 G 4.0243 8.9667 107.3703 48.0467 0.0000 175.6244 27 Y 3.8365 8.0491 122.4121 60.0968 38.9800 177.5160 28 E 3.8496 7.0780 118.9328 59.4251 29.5942 179.2821 29 I 3.6015 7.4284 119.5810 64.7800 36.6610 178.6816 30 T 3.7872 7.9934 116.8318 66.4205 68.2303 176.7047 31 K 3.8530 7.9207 121.5758 59.2779 31.9282 179.0369 32 I 3.6747 7.7910 120.1057 64.3493 37.0665 178.2183 33 L 4.1779 7.8896 119.7271 58.1578 41.2341 179.3463 34 N 4.6224 8.3156 117.7523 55.7989 38.3096 176.4219 35 D 4.6453 7.9012 116.9309 55.1881 41.2276 176.8270 36 Q 4.3282 7.5233 117.9466 55.5106 29.7748 175.7781 37 G 3.8884 7.3271 106.0082 44.6047 0.0000 172.8488 38 F 4.5098 9.0348 128.1297 56.1029 37.4636 177.1493 39 T 4.0995 7.9431 120.4183 65.7310 68.9417 175.1453 40 E 4.5255 8.0840 119.5170 56.2767 29.8622 175.4158 41 I 4.3167 7.7232 120.1912 59.7886 38.7172 175.9562 42 V 4.2755 7.9520 118.8685 59.6936 33.4643 176.9329 43 E 4.2958 7.9603 121.0092 58.1336 29.5577 179.3237 44 G 3.6260 8.0518 107.2203 48.3037 0.0000 175.6963 45 T 3.9287 7.8097 117.7362 66.1437 68.4417 177.1489 46 V 3.4612 7.5781 119.7273 66.0264 31.6199 176.9260 47 Y 4.1249 8.4931 119.7044 61.3205 38.4188 178.3485 48 T 3.7573 7.8856 115.9726 66.8211 68.5280 176.5960 49 I 3.6449 7.5592 121.1675 64.3688 37.0778 178.5361 50 L 3.7489 8.2129 120.1144 57.5154 41.2569 179.3733 51 L 3.8371 7.8424 119.2708 57.9074 41.6855 179.7023 52 R 3.8339 7.6700 118.4903 59.2022 30.1582 178.3971 53 L 4.2838 8.0909 118.9807 57.8777 41.6662 179.0798 54 E 4.0925 8.2990 119.0645 59.3029 29.4082 178.4048 55 K 3.7338 7.8661 118.4001 59.6409 32.2319 177.3828 56 N 4.1020 7.3659 112.3857 52.1539 38.4347 175.0778 57 Q 3.5742 7.7723 118.5227 56.8019 26.9339 174.8255 58 W 4.7176 7.6885 120.0438 58.6512 30.2531 176.8584 59 V 5.0333 7.9112 111.0740 59.5421 34.9217 175.2032 60 I 4.5686 8.7644 124.0423 59.8724 39.3313 174.5566 61 A 4.9037 8.2607 126.7500 50.3264 21.6758 175.1300 62 E 4.6447 8.6973 119.9077 55.1583 33.8122 173.9121 63 K 5.7009 8.5044 124.8117 54.6214 33.5177 175.9508 64 K 4.7927 8.7147 122.5730 53.8563 36.4767 174.2897 65 P 4.7437 0.0000 0.0000 62.8005 32.3928 176.3531 66 S 4.6214 8.5712 117.0070 56.9748 65.0001 173.3364 67 E 4.5698 8.6247 122.6864 55.5643 28.4073 177.1888 68 K 4.5794 8.9954 125.2379 55.7654 35.2652 170.7088 69 G 4.0102 8.9943 119.8534 42.9197 0.0000 173.3433 70 P 4.5323 0.0000 0.0000 62.0929 31.5414 176.6911 *72 R 4.0735 8.3883 124.1128 56.8156 31.8063 174.4591 73 K 4.5679 8.3346 123.0548 55.6920 32.3488 175.7161 74 F 5.0777 9.3186 127.3649 56.5770 41.0278 174.8887 75 Y 5.5525 9.4424 119.5408 56.5998 41.6939 174.8298 76 R 4.8794 8.6405 116.2841 54.8504 33.3411 174.2563 77 L 4.7283 8.5653 121.4197 55.1327 42.6872 177.2223 78 T 4.3377 8.8878 114.2334 61.0405 70.7839 175.8965 79 S 4.1837 8.7899 117.0173 61.7408 62.6785 177.0163 80 S 4.3766 8.2423 116.7769 61.2491 62.7344 176.6168 81 G 3.6691 8.4322 109.3613 47.7553 0.0000 175.1736 82 E 3.9869 8.3974 121.7641 59.1160 29.5376 179.4483 83 A 3.9971 8.0643 120.3817 55.2854 18.4212 179.2832 84 E 3.6871 8.1974 117.8267 59.1193 29.5935 178.8352 85 L 3.7992 8.1887 120.4640 58.1221 42.1006 178.5991 86 A 4.1966 8.3056 121.0137 55.5390 18.2748 179.1603 87 D 4.2862 8.1432 116.4179 57.1389 41.2770 178.2776 88 F 4.1579 8.1971 121.3762 61.1692 39.4272 177.2073 89 W 4.1690 7.8958 118.5346 59.5639 28.7639 178.3985 90 Q 3.9529 7.9896 119.6515 59.3331 28.5324 178.3304 91 R 3.9052 7.9925 119.0739 59.0316 30.0282 178.9024 92 W 4.0840 8.5118 128.2875 60.8758 30.5863 178.1239 93 T 3.5089 8.4045 116.0268 66.3310 67.7104 176.4310 94 L 3.8504 7.7970 122.2039 57.9388 42.1934 178.3816 95 L 4.0192 7.7411 121.7083 57.6800 41.9959 178.6924 96 S 3.5043 7.8340 113.2204 61.1451 62.0003 176.2891 97 K 3.8076 7.3953 122.0552 59.5625 31.7058 178.7817 98 Q 3.9341 8.0753 118.5485 59.0962 28.4082 179.2604 99 V 3.5804 7.8286 118.3804 66.0065 30.5139 177.6442 100 N 4.4925 8.1662 116.2183 55.4877 38.2878 176.6757 101 K 4.1264 7.7507 121.7640 56.3452 32.5547 177.6140 *103 K 4.3341 8.0556 120.2262 55.4396 34.1443 175.1618 104 K 4.1917 7.4779 119.5639 56.4839 32.9914 175.7643 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 K 8.17 4.32 0.00 1.85 1.95 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 3 Q 7.95 3.43 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 4 T 8.60 3.95 4.24 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 1.21 0.00 0.00 5 E 8.08 4.09 0.00 2.19 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 2.40 2.31 0.00 6 L 8.72 4.05 0.00 1.80 1.75 1.00 1.09 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 7 L 7.69 4.19 0.00 1.93 1.59 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.16 4.11 0.00 1.96 1.72 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.58 7.81 9 G 8.90 4.32 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 0.00 10 I 7.46 3.56 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.73 0.63 0.00 0.00 11 L 7.80 3.52 0.00 1.64 1.45 0.56 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.92 3.78 0.00 1.92 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 2.27 2.31 0.00 13 G 6.53 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 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.30 3.82 0.00 1.44 1.48 0.22 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.70 3.39 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 0.84 0.00 0.00 0.79 0.00 0.00 16 L 7.65 3.87 0.00 1.66 1.60 0.59 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.86 4.14 1.62 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 0.00 0.00 0.00 18 I 7.93 3.71 1.95 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 1.53 1.53 0.90 0.00 0.00 19 I 7.61 3.92 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 1.08 0.00 0.00 20 Q 8.10 4.15 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.97 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 21 R 7.60 4.09 0.00 1.95 1.98 0.00 3.34 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 22 K 7.39 4.62 0.00 1.71 1.66 0.00 1.92 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.43 7.81 23 E 8.69 4.48 0.00 2.09 1.92 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 2.56 2.39 0.00 24 T 8.86 5.69 4.47 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 1.31 0.00 0.00 25 Y 8.14 5.33 0.00 2.91 2.45 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 26 G 8.97 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 27 Y 8.05 3.84 0.00 3.17 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 28 E 7.08 3.85 0.00 1.70 1.82 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 2.34 1.88 0.00 29 I 7.43 3.60 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.80 0.00 0.00 30 T 7.99 3.79 3.98 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 0.00 0.00 1.08 0.00 0.00 31 K 7.92 3.85 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.40 7.81 32 I 7.79 3.67 2.00 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 1.53 0.81 0.94 0.00 0.00 33 L 7.89 4.18 0.00 1.86 1.79 0.81 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.32 4.62 0.00 2.85 2.85 0.00 0.00 6.59 8.90 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 35 D 7.90 4.65 0.00 2.80 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 36 Q 7.52 4.33 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 37 G 7.33 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 38 F 9.03 4.51 0.00 3.09 2.98 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 0.00 0.00 0.00 39 T 7.94 4.10 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 1.20 0.00 0.00 40 E 8.08 4.53 0.00 1.97 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 2.26 2.33 0.00 41 I 7.72 4.32 2.04 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.85 0.00 0.00 42 V 7.95 4.28 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 0.88 0.00 0.00 0.92 0.00 0.00 43 E 7.96 4.30 0.00 2.19 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 0.00 2.34 2.22 0.00 44 G 8.05 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 45 T 7.81 3.93 4.30 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 1.17 0.00 0.00 46 V 7.58 3.46 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 0.77 0.00 0.00 0.85 0.00 0.00 47 Y 8.49 4.12 0.00 3.14 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 48 T 7.89 3.76 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 1.19 0.00 0.00 49 I 7.56 3.64 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.61 0.77 0.00 0.00 50 L 8.21 3.75 0.00 1.58 1.38 0.70 -0.28 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 51 L 7.84 3.84 0.00 1.65 1.58 0.61 0.90 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 52 R 7.67 3.83 0.00 1.80 2.07 0.00 3.11 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 53 L 8.09 4.28 0.00 1.88 1.82 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.30 4.09 0.00 2.22 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 2.30 2.34 0.00 55 K 7.87 3.73 0.00 1.81 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 56 N 7.37 4.10 0.00 1.44 1.42 0.00 0.00 7.11 6.99 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 57 Q 7.77 3.57 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 58 W 7.69 4.72 0.00 3.45 3.05 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 0.00 0.00 0.00 59 V 7.91 5.03 2.32 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 0.82 0.00 0.00 1.12 0.00 0.00 60 I 8.76 4.57 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.26 0.92 0.00 0.00 61 A 8.26 4.90 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 62 E 8.70 4.64 0.00 2.02 1.73 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 2.23 2.27 0.00 63 K 8.50 5.70 0.00 1.68 1.74 0.00 1.79 0.00 0.00 2.35 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.28 7.81 64 K 8.71 4.79 0.00 1.37 1.54 0.00 1.26 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.43 7.81 65 P 0.00 4.74 0.00 1.92 2.07 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 66 S 8.57 4.62 0.00 3.97 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 67 E 8.62 4.57 0.00 2.03 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 2.27 2.31 0.00 68 K 9.00 4.58 0.00 1.71 1.56 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 0.97 7.81 69 G 8.99 4.01 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 0.00 0.00 0.00 70 P 0.00 4.53 0.00 2.12 1.63 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 *72 R 8.39 4.07 0.00 1.26 0.89 0.00 2.50 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.30 0.00 73 K 8.33 4.57 0.00 1.72 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.90 1.29 7.81 74 F 9.32 5.08 0.00 3.06 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 75 Y 9.44 5.55 0.00 2.87 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 76 R 8.64 4.88 0.00 1.95 2.06 0.00 2.81 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 77 L 8.57 4.73 0.00 1.73 1.71 1.01 0.93 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 78 T 8.89 4.34 4.31 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 1.31 0.00 0.00 79 S 8.79 4.18 0.00 3.93 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 80 S 8.24 4.38 0.00 4.30 4.24 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 81 G 8.43 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 82 E 8.40 3.99 0.00 2.21 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 2.57 2.55 0.00 83 A 8.06 4.00 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 84 E 8.20 3.69 0.00 1.66 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 1.47 1.85 0.00 85 L 8.19 3.80 0.00 1.74 1.87 0.81 1.36 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 86 A 8.31 4.20 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 87 D 8.14 4.29 0.00 2.94 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 88 F 8.20 4.16 0.00 2.84 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 89 W 7.90 4.17 0.00 3.39 3.08 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 0.00 0.00 0.00 0.00 90 Q 7.99 3.95 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 91 R 7.99 3.91 0.00 2.16 2.01 0.00 3.21 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 1.73 0.00 92 W 8.51 4.08 0.00 2.79 2.87 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 93 T 8.40 3.51 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 1.18 0.00 0.00 94 L 7.80 3.85 0.00 1.85 1.75 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.74 4.02 0.00 1.79 1.66 0.89 0.87 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 96 S 7.83 3.50 0.00 2.72 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 97 K 7.40 3.81 0.00 1.84 1.87 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 98 Q 8.08 3.93 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 99 V 7.83 3.58 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 0.80 0.00 0.00 0.90 0.00 0.00 100 N 8.17 4.49 0.00 2.89 2.81 0.00 0.00 6.66 7.10 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 0.00 101 K 7.75 4.13 0.00 1.95 1.76 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.55 7.81 *103 K 8.06 4.33 0.00 1.77 1.97 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 104 K 7.48 4.19 0.00 1.68 1.61 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.