NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4741 8.1627 118.7936 54.3095 32.1350 177.1865 2 N 5.2408 8.9130 114.0388 54.8740 39.4518 175.5303 3 L 3.8887 8.7708 118.9741 59.3692 41.7380 178.3058 4 K 4.1090 7.7621 118.4078 58.9291 32.3991 179.0904 5 D 4.5132 7.6691 115.2693 55.2706 40.2848 177.5478 *7 E 4.2455 8.2878 121.9886 56.4470 31.3258 178.0157 8 Q 4.0591 8.3461 117.9823 58.8329 28.6421 178.3433 9 N 4.4463 8.1366 117.3969 55.9542 38.6613 177.5511 10 S 4.2246 8.1278 115.0683 61.4538 63.0058 176.4130 11 A 3.9709 7.8619 124.0438 54.9357 18.0101 179.7933 12 K 3.9566 7.8749 116.5114 59.3821 32.0071 179.5095 13 A 4.0115 8.5032 121.5184 55.2911 18.3365 179.8995 14 V 3.5281 8.0893 116.8626 65.8149 31.4539 178.4134 15 V 3.5768 7.5662 117.7965 65.8910 31.2138 177.7019 16 L 3.9830 7.4087 118.5825 58.1203 42.0374 178.3560 17 L 4.1728 7.9257 117.8639 58.0945 41.7069 179.5190 18 K 4.2223 8.1283 116.6158 59.2028 31.9756 179.5306 19 A 4.5094 7.6146 115.8435 52.5577 19.3922 178.0726 *21 A 4.0871 7.6609 121.4469 52.4364 19.3971 177.3115 22 N 4.7209 7.5083 118.6893 50.6160 43.3117 172.9886 23 E 3.8302 8.9567 128.1132 60.3455 29.6901 179.8644 24 R 3.7999 7.6980 116.8200 59.2413 30.1880 179.4012 25 R 3.8423 7.6290 117.4277 59.0531 30.1442 178.6345 26 L 3.9641 8.0831 120.3713 58.2335 41.8565 178.9368 27 Q 3.9527 7.9067 116.9546 59.0261 28.6960 178.7786 28 I 3.8578 7.4178 119.5731 64.3678 37.2560 178.1298 29 L 4.2511 8.2256 118.8221 57.8503 41.7372 180.5674 30 C 4.4180 8.6308 115.8629 59.8375 27.9417 175.1153 *32 L 4.1570 7.8039 118.6403 54.1808 43.0080 175.8689 33 H 4.2700 8.1620 119.6300 57.2838 29.5877 174.5546 34 N 4.1531 8.5939 125.8427 53.7660 36.0755 173.7345 35 Q 4.5913 7.4241 111.8286 55.8478 31.9437 172.8816 36 E 5.1243 8.8154 119.4557 54.8895 31.8110 175.5597 37 L 5.3710 8.9729 122.5525 53.2130 46.6753 176.2782 38 S 5.3116 8.9634 116.8405 56.6406 65.1297 175.3169 39 V 3.6449 8.7466 119.3588 66.2613 31.1664 178.0646 40 G 3.6378 8.0516 104.6192 48.0114 0.0000 175.2912 41 E 4.0527 7.9795 121.4555 58.9476 29.5790 179.5791 42 L 4.0092 8.1236 119.2915 57.9551 41.7712 179.3678 43 C 4.1730 8.4868 114.6435 61.1319 29.1921 175.7991 44 A 4.0324 7.9314 122.9390 54.7731 17.8982 179.4396 45 K 3.9041 8.0727 115.1056 57.9841 32.3485 178.2763 46 L 4.5593 7.5432 116.4791 52.9169 43.9399 175.7738 47 Q 3.4608 7.5337 116.9005 57.2021 26.6828 173.3980 48 L 4.7246 7.6701 117.5049 52.7334 45.0009 176.6325 49 S 4.3357 8.3952 120.9244 58.4925 64.7440 175.6348 50 Q 3.9937 8.5787 123.1609 59.3350 28.5436 179.5401 51 S 4.1037 8.0252 114.5342 61.1883 63.3123 176.1944 52 A 3.9145 7.8924 123.9314 54.8229 18.1530 179.1479 53 L 3.8929 8.0721 118.9262 58.4478 42.1605 179.2006 54 S 4.0968 8.3332 115.3681 61.7343 62.7338 176.9074 55 Q 3.9687 8.0308 120.4485 59.4213 28.4719 178.4238 56 H 4.2100 7.9920 116.9479 58.7773 28.6131 177.9254 57 L 3.9410 8.3068 120.8163 57.7269 41.5058 179.1559 58 A 4.0494 8.0056 120.7029 55.0747 18.3474 179.4046 59 W 3.9161 8.4120 126.5697 60.7166 30.7793 178.0351 60 L 4.2314 8.5987 119.2670 58.1910 40.4940 179.3516 61 R 4.0940 8.5191 118.1671 59.2076 29.8075 178.7230 62 R 3.9181 7.7950 118.1059 59.7254 30.2117 177.3026 63 D 4.4957 7.5457 113.5602 53.3712 41.0943 175.7050 64 G 4.0040 9.2043 106.5590 47.1493 0.0000 175.1931 65 L 4.5215 8.0745 119.7370 55.0029 43.1680 176.9470 66 V 4.9861 7.7205 117.1253 61.6042 35.2526 173.7630 67 T 4.9756 9.2273 121.9985 62.0095 73.0396 172.2561 68 T 5.2997 8.1179 111.2258 59.3792 72.4930 174.0314 69 R 4.3115 7.9076 121.4672 55.4430 32.3576 174.4221 70 K 4.4123 8.7068 126.7773 55.8626 33.6614 176.2754 71 E 5.4897 9.4223 128.5797 57.2567 31.7714 176.9318 72 A 3.7995 9.3115 133.3195 53.4359 15.9298 176.9527 73 Q 3.7566 8.0579 119.0362 56.2258 27.0278 174.4310 74 T 4.2374 9.0130 115.2212 61.6713 69.3545 173.7586 75 V 4.1391 7.8041 126.8553 61.9638 33.6445 174.0280 76 Y 5.2171 8.6106 124.3956 56.5175 40.9464 174.3961 77 Y 5.0828 9.4587 121.6248 57.1949 40.8352 174.5750 78 T 4.9775 8.5158 115.2576 60.6943 71.5209 172.9372 79 L 4.3984 8.5866 124.8551 55.2366 42.0628 175.3549 80 K 4.5511 8.7498 119.9089 58.1051 33.9753 176.5103 81 S 4.3623 7.8582 111.9212 57.9426 64.0965 175.4090 82 E 4.0449 8.7832 122.4946 59.3496 28.9495 179.6232 83 E 3.9619 8.0588 117.9703 59.4159 29.7812 179.1689 84 V 3.8035 7.6499 117.7403 64.6901 31.6119 177.9933 85 K 4.1399 8.0752 118.8194 59.2007 31.8283 179.4070 86 A 4.3077 7.7551 117.6092 52.9215 17.9663 179.1305 *88 I 4.0434 7.6826 123.1953 62.7500 39.5084 178.0570 89 K 3.7333 8.3667 121.0857 59.4592 31.8846 178.6058 90 L 3.9728 8.1915 120.6712 58.1311 42.1757 178.8428 91 L 4.0918 7.9527 118.4868 58.1777 41.3388 179.1015 92 H 4.1614 8.2801 115.8309 58.7965 28.7323 177.7265 93 S 4.2943 7.7349 114.2899 60.8589 63.0206 176.0384 94 L 4.0177 7.5658 122.2151 56.1392 41.8811 176.7186 95 Y 4.9163 7.3724 115.6691 56.8791 38.7318 175.4287 96 C 4.3637 7.9872 121.9527 60.5889 29.1909 174.3666 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 1 M 8.16 4.47 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.11 0.00 2 N 8.91 5.24 0.00 2.80 2.83 0.00 0.00 7.44 5.78 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 3 L 8.77 3.89 0.00 1.79 1.79 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.76 4.11 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.41 7.81 5 D 7.67 4.51 0.00 2.61 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 *7 E 8.29 4.25 0.00 2.12 2.10 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 2.28 2.35 0.00 8 Q 8.35 4.06 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 9 N 8.14 4.45 0.00 2.77 2.86 0.00 0.00 6.70 7.34 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 10 S 8.13 4.22 0.00 4.05 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 11 A 7.86 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.87 3.96 0.00 1.94 1.88 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.58 7.81 13 A 8.50 4.01 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 14 V 8.09 3.53 2.23 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 1.08 0.00 0.00 0.99 0.00 0.00 15 V 7.57 3.58 2.34 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 0.95 0.00 0.00 1.02 0.00 0.00 16 L 7.41 3.98 0.00 1.65 1.88 0.96 1.07 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 17 L 7.93 4.17 0.00 1.91 1.76 0.95 1.26 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 18 K 8.13 4.22 0.00 1.95 1.98 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.63 7.81 19 A 7.61 4.51 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *21 A 7.66 4.09 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 22 N 7.51 4.72 0.00 2.59 2.43 0.00 0.00 7.02 7.65 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 23 E 8.96 3.83 0.00 1.96 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 2.34 2.37 0.00 24 R 7.70 3.80 0.00 1.29 1.53 0.00 3.19 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 25 R 7.63 3.84 0.00 1.89 1.97 0.00 3.24 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 26 L 8.08 3.96 0.00 1.80 1.72 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.91 3.95 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 28 I 7.42 3.86 2.02 0.00 0.00 0.80 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 0.54 0.89 0.00 0.00 29 L 8.23 4.25 0.00 1.74 1.78 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.63 4.42 0.00 3.08 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 *32 L 7.80 4.16 0.00 1.91 1.80 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.16 4.27 0.00 3.13 3.30 0.00 6.10 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.59 4.15 0.00 2.56 2.75 0.00 0.00 7.03 7.69 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 35 Q 7.42 4.59 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.62 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 36 E 8.82 5.12 0.00 1.76 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 2.23 2.27 0.00 37 L 8.97 5.37 0.00 1.68 1.60 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.96 5.31 0.00 3.74 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 39 V 8.75 3.64 2.10 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 1.14 0.00 0.00 1.03 0.00 0.00 40 G 8.05 3.64 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 0.00 0.00 0.00 41 E 7.98 4.05 0.00 2.18 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 2.38 2.40 0.00 42 L 8.12 4.01 0.00 1.83 1.67 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.49 4.17 0.00 3.36 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 44 A 7.93 4.03 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 45 K 8.07 3.90 0.00 1.79 1.89 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.82 7.81 46 L 7.54 4.56 0.00 1.66 1.63 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 7.53 3.46 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 48 L 7.67 4.72 0.00 1.53 1.48 0.91 0.73 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 49 S 8.40 4.34 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.58 3.99 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 51 S 8.03 4.10 0.00 4.04 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 52 A 7.89 3.91 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 53 L 8.07 3.89 0.00 1.80 1.87 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.33 4.10 0.00 4.04 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 55 Q 8.03 3.97 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 56 H 7.99 4.21 0.00 3.19 3.32 0.00 5.62 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 57 L 8.31 3.94 0.00 1.79 1.58 0.27 0.68 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 58 A 8.01 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.41 3.92 0.00 3.60 3.38 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 60 L 8.60 4.23 0.00 2.16 1.82 1.15 0.94 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 61 R 8.52 4.09 0.00 2.13 1.98 0.00 3.38 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.90 0.00 62 R 7.79 3.92 0.00 1.74 1.86 0.00 3.01 0.00 0.00 2.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 63 D 7.55 4.50 0.00 2.34 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 64 G 9.20 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 0.00 0.00 0.00 65 L 8.07 4.52 0.00 1.70 1.78 1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.72 4.99 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 1.11 0.00 0.00 1.02 0.00 0.00 67 T 9.23 4.98 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 T 8.12 5.30 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 0.72 0.00 0.00 69 R 7.91 4.31 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 70 K 8.71 4.41 0.00 1.64 1.76 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.45 7.81 71 E 9.42 5.49 0.00 2.27 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 2.31 2.18 0.00 72 A 9.31 3.80 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 73 Q 8.06 3.76 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 74 T 9.01 4.24 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 0.70 0.00 0.00 75 V 7.80 4.14 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 0.45 0.00 0.00 0.84 0.00 0.00 76 Y 8.61 5.22 0.00 2.97 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 77 Y 9.46 5.08 0.00 2.99 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 78 T 8.52 4.98 4.29 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 1.24 0.00 0.00 79 L 8.59 4.40 0.00 1.61 1.63 0.99 0.92 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 80 K 8.75 4.55 0.00 1.77 1.80 0.00 1.82 0.00 0.00 1.95 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 81 S 7.86 4.36 0.00 4.25 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 82 E 8.78 4.04 0.00 2.01 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 2.41 2.35 0.00 83 E 8.06 3.96 0.00 1.94 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 2.33 2.44 0.00 84 V 7.65 3.80 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 0.89 0.00 0.00 0.98 0.00 0.00 85 K 8.08 4.14 0.00 2.06 1.95 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.66 7.81 86 A 7.76 4.31 1.40 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 0.00 0.00 0.00 *88 I 7.68 4.04 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 1.04 0.00 0.00 89 K 8.37 3.73 0.00 2.00 2.01 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 90 L 8.19 3.97 0.00 1.79 1.65 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.95 4.09 0.00 1.95 1.79 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.28 4.16 0.00 3.31 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.73 4.29 0.00 4.02 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 94 L 7.57 4.02 0.00 1.64 0.82 0.81 0.68 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 95 Y 7.37 4.92 0.00 2.95 2.84 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 0.00 0.00 0.00 96 C 7.99 4.36 0.00 3.10 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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.