NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5528 8.3644 120.1994 54.2672 43.1166 175.7340 8 Y 4.2073 8.0352 120.0534 56.4415 39.0354 173.1953 9 I 4.0493 8.9559 129.1414 57.9078 38.9370 171.6926 10 P 4.3045 0.0000 0.0000 62.4679 31.7867 177.1909 11 E 4.7391 8.2992 121.5192 53.6206 31.2027 175.8741 12 P 4.5293 0.0000 0.0000 61.8360 31.2272 179.4652 *14 D 4.2831 8.7335 131.5773 55.4024 40.9830 174.1901 15 L 4.6226 8.1886 125.7399 54.2201 42.6009 178.5190 16 S 4.3355 8.1880 114.6705 61.0385 62.6878 175.3359 17 L 4.3283 7.7000 117.8739 54.5615 41.9532 176.5026 18 V 3.6706 8.0546 120.7984 62.5319 31.6868 174.9102 19 D 4.7793 8.5176 127.5505 52.5375 41.3475 176.1018 20 L 4.3845 8.1410 124.1144 53.1019 43.1088 176.1022 21 P 4.4075 0.0000 0.0000 62.5818 33.2133 177.5822 22 E 3.9908 8.7356 121.6609 59.3244 29.4701 179.3639 23 S 4.1233 8.0195 113.1982 60.9779 63.1179 175.9010 24 L 4.1147 7.6653 123.5497 58.0102 42.1342 178.3633 25 I 3.6616 7.5860 119.4396 64.6554 36.8098 178.3686 26 Q 4.0430 8.1599 117.5972 58.3922 28.9067 177.1904 27 L 4.5614 8.0290 117.0413 54.7294 42.0716 178.2966 28 S 4.0987 8.1073 118.3588 62.0032 62.5863 176.6346 29 E 3.9801 8.1064 120.5307 59.2521 29.4057 179.1997 30 R 3.7834 7.8639 118.2661 59.3574 30.1423 178.3933 31 I 3.5882 7.6206 119.2215 64.4129 37.0871 178.1908 32 A 3.8633 8.0814 121.7520 55.0236 18.1808 179.0801 33 E 2.6042 7.6895 117.9450 59.1916 29.7006 178.7451 34 N 4.2803 7.8073 116.4977 56.5741 38.9989 176.8786 35 V 3.6063 8.0002 120.0279 66.3429 31.4661 177.4894 36 H 4.3011 8.5958 118.2953 59.3948 29.6457 177.1641 37 E 4.0583 8.3666 120.5039 59.1691 29.2490 179.4647 38 V 3.5447 7.7903 118.1815 65.7313 31.6961 177.5733 39 W 4.2047 8.2281 127.8626 60.5968 30.3955 177.7583 40 A 3.1076 8.4515 120.6556 54.7498 17.9567 179.3587 41 K 3.7092 8.2455 118.2856 59.6155 32.0023 178.5128 42 A 3.8602 7.5732 119.4624 55.2818 18.6208 178.9989 43 R 3.7016 7.4811 116.6652 59.7585 29.4835 178.8355 44 I 4.0317 7.7200 119.3995 64.1827 36.7244 177.2794 45 D 4.8132 7.6306 117.2675 54.3167 41.0925 176.2358 46 E 4.6866 7.9933 118.9068 56.1690 30.9149 177.8885 47 G 3.9716 8.0936 105.7868 45.6666 0.0000 175.1290 48 W 4.6273 7.8350 119.8555 57.3744 29.7670 175.5427 49 T 4.8049 8.8570 111.7195 60.1614 72.3991 172.1916 50 Y 4.7112 8.9354 123.9532 58.5656 39.1042 175.5423 51 G 3.9188 8.1900 113.5643 44.2098 0.0000 174.0428 52 E 3.7364 8.5948 123.1517 58.2094 29.8510 176.4794 53 K 4.7249 7.3904 114.4417 53.8137 36.2319 175.6442 54 R 4.2170 8.4199 121.8356 56.7015 30.8233 175.5806 55 D 4.6815 9.6401 125.9575 52.2907 42.6053 175.3244 56 D 4.6203 9.0078 125.8196 56.5214 41.4935 177.8127 57 I 3.9370 7.7511 118.1857 63.1005 38.7777 176.5424 58 H 4.3954 8.0038 112.8476 55.4668 28.8307 175.8166 59 K 2.4800 7.1770 117.6963 56.5184 29.3672 173.1055 60 K 4.8430 8.6262 117.0305 55.1928 35.6282 175.1429 61 H 5.2807 9.4499 124.8848 53.4961 31.8310 172.7019 62 P 5.0052 0.0000 0.0000 63.8903 31.2190 176.2744 63 C 4.8408 8.4378 115.2388 59.9719 29.5098 174.1879 64 L 4.5802 8.1056 121.3920 54.4997 40.1823 175.7556 65 V 4.5946 7.2626 110.8057 58.3070 36.0838 174.4935 66 P 4.4461 0.0000 0.0000 63.0008 32.0348 176.8540 67 Y 3.9423 8.5021 123.2083 61.0834 38.6221 178.6143 68 D 4.3560 8.2821 116.9006 56.5723 40.9355 176.8361 69 E 4.4047 7.9051 116.8526 55.8626 30.2551 176.4524 70 L 4.0564 7.4354 119.6786 53.6844 42.3283 175.3509 71 P 4.2297 0.0000 0.0000 62.7714 32.0911 176.7128 72 E 3.8351 9.1477 123.7152 59.7506 29.4149 179.2008 73 E 4.1241 8.1796 116.5639 59.4439 29.5014 178.8683 74 E 3.9706 8.3555 120.0347 59.1766 29.4777 179.3166 75 K 4.0464 7.8048 118.1302 59.2548 32.0764 179.0150 76 E 3.9385 8.4677 119.1698 59.6024 29.4425 178.4345 77 Y 4.0410 7.8932 119.3131 61.1075 38.7987 178.1642 78 D 4.3837 8.3308 119.3870 57.5066 40.7374 179.0612 79 R 3.9207 8.2330 117.7565 59.3793 30.1444 178.6210 80 N 4.4225 8.2388 115.5842 56.5257 38.8034 177.2532 81 T 3.8309 8.0047 117.3658 66.3352 68.5299 176.5582 82 A 3.8606 7.5948 119.1189 52.9849 17.3298 178.7536 *84 N 4.5958 8.0721 119.6838 55.0846 40.6619 177.1382 85 T 4.0185 7.8215 113.4954 66.7392 68.8752 175.8707 86 I 3.9204 7.7355 121.6874 64.0975 37.4462 179.1782 87 K 3.7959 7.4470 118.9152 56.7424 31.1288 179.1022 *89 V 3.9560 7.9925 119.9952 62.9251 33.3656 177.1805 90 K 4.2491 8.0245 120.0473 58.8025 32.2048 178.3080 91 K 3.8499 8.3168 118.8924 59.7083 31.9810 177.2456 92 L 4.3100 7.6368 114.8576 55.2763 41.3299 177.2317 93 G 3.8543 8.3757 107.0454 45.7664 0.0000 173.4340 94 F 4.7659 8.1431 117.2722 55.0347 41.2564 175.4931 95 R 4.2528 8.5237 124.0898 55.9270 30.6766 176.1481 96 I 4.5602 8.2473 122.1374 59.5745 39.6269 174.8495 97 E 4.6764 8.5056 124.1204 53.9349 33.3186 175.4730 98 K 4.0174 8.6401 124.4371 56.6762 32.9713 176.3742 99 E 4.2158 8.6602 123.7580 56.6702 29.5534 176.2339 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 7 D 8.36 4.55 0.00 2.69 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 8 Y 8.04 4.21 0.00 2.92 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 9 I 8.96 4.05 1.84 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 1.36 0.97 0.94 0.00 0.00 10 P 0.00 4.30 0.00 1.91 1.83 0.00 3.34 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.95 0.00 11 E 8.30 4.74 0.00 1.90 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 12 P 0.00 4.53 0.00 2.03 1.17 0.00 3.69 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 2.02 2.08 0.00 *14 D 8.73 4.28 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.19 4.62 0.00 1.71 1.64 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.19 4.34 0.00 3.98 4.05 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 17 L 7.70 4.33 0.00 1.63 1.74 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.05 3.67 2.12 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 0.83 0.00 0.00 0.96 0.00 0.00 19 D 8.52 4.78 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.14 4.38 0.00 1.63 1.58 0.91 1.11 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 21 P 0.00 4.41 0.00 2.15 1.97 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 22 E 8.74 3.99 0.00 2.03 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 2.37 2.36 0.00 23 S 8.02 4.12 0.00 4.06 3.99 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 24 L 7.67 4.11 0.00 1.77 1.87 0.90 1.00 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 25 I 7.59 3.66 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 1.51 0.93 0.90 0.00 0.00 26 Q 8.16 4.04 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.15 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 27 L 8.03 4.56 0.00 1.84 1.64 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.11 4.10 0.00 3.88 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 29 E 8.11 3.98 0.00 2.00 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 2.47 2.36 0.00 30 R 7.86 3.78 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 31 I 7.62 3.59 1.96 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 1.41 0.55 0.86 0.00 0.00 32 A 8.08 3.86 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 33 E 7.69 2.60 0.00 1.36 1.86 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 2.20 2.22 0.00 34 N 7.81 4.28 0.00 2.86 2.74 0.00 0.00 6.91 7.00 0.00 0.00 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 V 8.00 3.61 2.16 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 0.95 0.00 0.00 0.95 0.00 0.00 36 H 8.60 4.30 0.00 3.41 3.60 0.00 5.84 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 37 E 8.37 4.06 0.00 2.19 2.02 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 2.65 2.49 0.00 38 V 7.79 3.54 2.29 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 1.02 0.00 0.00 0.96 0.00 0.00 39 W 8.23 4.20 0.00 3.41 3.31 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 0.00 40 A 8.45 3.11 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 41 K 8.25 3.71 0.00 1.78 1.90 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 42 A 7.57 3.86 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 43 R 7.48 3.70 0.00 1.00 1.21 0.00 2.68 0.00 0.00 2.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 44 I 7.72 4.03 1.88 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 1.52 0.77 0.91 0.00 0.00 45 D 7.63 4.81 0.00 2.78 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 46 E 7.99 4.69 0.00 2.50 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 2.27 2.41 0.00 47 G 8.09 3.97 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 0.00 0.00 0.00 48 W 7.83 4.63 0.00 3.20 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 49 T 8.86 4.80 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 1.29 0.00 0.00 50 Y 8.94 4.71 0.00 3.01 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 51 G 8.19 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 52 E 8.59 3.74 0.00 1.82 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 2.30 2.34 0.00 53 K 7.39 4.72 0.00 1.61 1.67 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.36 7.81 54 R 8.42 4.22 0.00 1.76 1.83 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 55 D 9.64 4.68 0.00 2.70 2.50 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 56 D 9.01 4.62 0.00 2.75 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 57 I 7.75 3.94 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.12 0.69 0.00 0.00 58 H 8.00 4.40 0.00 3.15 3.22 0.00 5.86 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 59 K 7.18 2.48 0.00 1.39 0.84 0.00 1.27 0.00 0.00 1.29 0.00 0.00 2.54 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.90 7.81 60 K 8.63 4.84 0.00 1.78 1.66 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 61 H 9.45 5.28 0.00 3.31 3.28 0.00 5.59 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 62 P 0.00 5.01 0.00 2.33 2.26 0.00 3.18 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 63 C 8.44 4.84 0.00 3.10 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 64 L 8.11 4.58 0.00 1.84 1.73 0.97 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.26 4.59 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 0.57 0.00 0.00 0.97 0.00 0.00 66 P 0.00 4.45 0.00 2.20 2.03 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 67 Y 8.50 3.94 0.00 2.84 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 68 D 8.28 4.36 0.00 2.73 2.73 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 69 E 7.91 4.40 0.00 2.03 1.91 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 2.22 2.22 0.00 70 L 7.44 4.06 0.00 1.43 1.36 0.92 0.67 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 71 P 0.00 4.23 0.00 2.14 1.96 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 72 E 9.15 3.84 0.00 2.03 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 0.00 2.37 2.45 0.00 73 E 8.18 4.12 0.00 2.20 2.20 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 2.34 2.33 0.00 74 E 8.36 3.97 0.00 2.15 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 2.27 2.43 0.00 75 K 7.80 4.05 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.62 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.70 1.21 7.81 76 E 8.47 3.94 0.00 2.22 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 2.34 2.33 0.00 77 Y 7.89 4.04 0.00 3.11 3.12 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 0.00 0.00 0.00 78 D 8.33 4.38 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.23 3.92 0.00 1.76 1.99 0.00 3.19 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 80 N 8.24 4.42 0.00 2.69 2.76 0.00 0.00 7.10 7.08 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 81 T 8.00 3.83 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 1.08 0.00 0.00 82 A 7.59 3.86 1.33 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 *84 N 8.07 4.60 0.00 2.91 2.86 0.00 0.00 7.03 7.05 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 85 T 7.82 4.02 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 1.17 0.00 0.00 86 I 7.74 3.92 1.84 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 1.26 0.67 0.89 0.00 0.00 87 K 7.45 3.80 0.00 2.13 1.81 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 *89 V 7.99 3.96 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 0.81 0.00 0.00 90 K 8.02 4.25 0.00 1.92 2.02 0.00 1.97 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 91 K 8.32 3.85 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.50 7.81 92 L 7.64 4.31 0.00 2.07 1.87 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.38 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 94 F 8.14 4.77 0.00 3.29 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 95 R 8.52 4.25 0.00 1.84 1.89 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 96 I 8.25 4.56 1.89 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 1.44 0.66 0.91 0.00 0.00 97 E 8.51 4.68 0.00 1.90 1.79 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 2.21 2.29 0.00 98 K 8.64 4.02 0.00 1.71 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 99 E 8.66 4.22 0.00 1.99 1.84 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 2.28 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.