NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.5996 8.3331 119.1194 55.1748 30.4972 174.5559 0 G 3.5446 9.4212 117.9785 45.3666 0.0000 172.4521 2 L 4.7109 6.7380 121.7743 54.1264 48.5951 172.9402 3 Y 4.7333 9.4784 123.3243 56.8814 38.9438 174.3457 4 H 5.2524 9.3599 126.2013 55.3002 30.6024 173.0246 5 L 4.8632 8.7972 129.1634 53.3558 43.9552 175.4229 6 V 4.8608 7.8448 125.1088 59.6762 35.5630 173.8124 *8 L 4.3912 8.1703 121.4123 54.8901 43.3664 176.4279 9 E 4.9244 9.0283 123.7351 53.8589 29.3070 172.7833 10 P 4.8295 0.0000 0.0000 62.4781 32.5685 175.1892 11 E 4.4368 9.5116 124.8560 56.5675 31.7607 174.3581 12 G 4.1467 9.1861 114.7034 43.5062 0.0000 172.7857 13 E 3.9537 8.4453 117.1653 57.5629 30.0206 178.2198 14 G 3.9706 9.0267 112.7500 44.2480 0.0000 174.8304 15 A 3.9642 7.6339 120.1677 53.0425 17.8192 179.4035 *17 D 4.5426 8.1640 120.0880 55.9608 42.9671 177.6108 18 R 4.0754 7.8404 117.6393 59.2873 30.1425 179.5526 19 I 3.6789 7.4365 116.6937 61.6301 36.5248 176.9583 *21 E 4.3290 8.3724 121.8947 56.5848 31.3320 178.8490 22 A 3.8890 7.7531 119.5885 52.3968 18.0023 179.1085 *24 A 4.3236 8.1756 124.0321 53.9594 20.6599 180.2963 25 I 3.7498 7.6421 116.4895 64.4049 37.0370 178.7567 26 L 3.8127 7.9706 119.9247 57.5322 41.1793 178.8935 27 D 4.6462 8.2626 117.7197 57.7274 40.8808 178.9556 28 G 3.6966 7.7265 104.1744 47.4783 0.0000 175.2185 29 L 4.0559 7.6870 122.0392 57.4997 42.1542 178.3865 30 A 3.8980 7.8679 120.9362 55.1444 18.0506 177.9446 31 P 4.2486 0.0000 0.0000 65.4518 31.4580 177.9302 32 E 4.4682 8.2670 115.5792 56.2428 30.0120 176.3378 33 L 4.5813 7.6037 120.5765 52.1434 41.8935 175.4054 34 P 4.2919 0.0000 0.0000 65.3755 31.7232 177.7825 35 G 3.7469 8.1394 105.8669 45.9909 0.0000 172.3543 36 L 4.6408 7.5679 122.7812 54.0955 41.2722 176.1780 37 T 4.2589 8.5719 117.4558 63.1097 69.9527 174.7796 38 E 4.6520 7.5121 122.5558 54.9953 33.2963 173.2849 39 F 5.4437 8.7649 128.3423 56.6173 42.2417 173.9583 40 R 4.5032 8.5787 124.5673 54.5952 34.1884 174.0199 41 H 5.1091 8.0582 117.1222 53.9517 32.3567 172.2285 42 G 3.8985 7.5570 106.5720 45.0766 0.0000 170.5605 43 P 4.7491 0.0000 0.0000 62.5363 32.2956 176.0478 44 N 4.4969 8.7882 121.6972 52.6246 38.4633 175.3141 45 R 3.6150 8.3102 125.8186 57.0450 30.9401 176.4930 46 D 4.1975 7.7246 116.1676 55.2670 39.5832 174.2153 47 F 4.3505 7.5692 117.9212 59.9296 39.7193 176.6309 48 E 4.3661 8.2627 117.6012 55.5666 30.0207 175.5073 49 Q 3.7879 7.7691 116.4385 56.7922 26.5258 174.0839 50 K 4.6906 8.6161 112.5246 55.8110 33.4454 177.8004 51 S 4.6582 7.8711 113.2977 57.5041 62.8757 177.8213 52 E 4.0024 8.4549 118.9142 59.8327 29.9317 180.2462 53 R 3.8204 7.8877 117.1916 58.9230 28.9431 175.6705 54 Y 5.2744 7.8024 115.4900 54.3556 38.0280 173.8392 55 P 4.4785 0.0000 0.0000 64.6980 32.9099 175.5943 56 Y 4.9713 7.5782 120.8945 56.5190 42.4689 174.2209 57 G 4.2647 7.8942 110.1417 46.5617 0.0000 171.4269 58 F 5.3494 8.5589 114.2140 55.7462 42.1207 173.0048 59 L 5.2013 9.3462 120.9260 53.5803 45.3123 174.5128 60 C 5.1640 9.3074 124.1489 58.3134 30.8832 172.8012 61 T 4.5604 8.3633 121.1535 62.0805 69.9955 173.7316 62 F 5.3409 8.9711 126.0341 55.7231 41.5702 176.9905 63 T 4.1255 8.8264 113.8242 64.7917 69.5683 173.5673 64 D 4.6775 7.8057 119.3701 50.5921 42.4165 175.5025 65 K 3.8945 8.7005 118.6211 59.5441 31.9835 178.3029 66 A 3.9351 8.0237 120.5149 55.0827 18.3176 179.3226 67 A 4.0072 8.3032 119.3693 55.0284 18.4763 179.5771 68 L 2.4400 7.4546 118.4095 57.9725 42.0823 179.0443 69 D 4.2796 8.1868 118.7099 57.1511 40.8519 178.5564 70 A 3.9897 8.0384 121.2990 55.2941 18.1850 178.9548 71 Y 4.0509 7.7406 116.4974 60.7627 38.9364 177.8383 72 A 3.7824 7.7294 120.1710 55.4257 18.6353 179.8265 73 V 3.7493 7.5946 108.7990 62.6892 32.1836 176.6814 74 H 3.8748 7.6661 118.6900 55.9975 30.3731 173.8118 75 P 4.2163 0.0000 0.0000 66.5830 30.8355 178.8085 76 T 3.9379 8.0260 114.8708 66.2987 68.3376 176.1683 77 H 3.9094 8.1207 119.8160 59.3889 29.8916 176.9927 78 Q 3.6617 8.0250 119.8189 58.9436 28.2582 179.2097 79 R 3.7855 7.5584 117.8893 59.3481 30.2651 178.0511 80 A 4.1824 7.4930 118.8407 55.1597 18.6741 179.3036 81 G 3.9184 8.7206 105.1471 47.8139 0.0000 176.8527 82 G 3.6408 8.2240 107.4070 44.6440 0.0000 175.5197 *84 L 4.3221 7.9372 122.5825 54.4762 44.0816 179.5764 85 V 3.6260 7.9847 117.4653 66.0771 31.2691 177.8399 86 A 4.1639 8.0048 117.9436 54.0314 18.4624 178.6106 87 S 4.4686 7.8029 112.9880 58.1192 63.6138 173.4105 88 C 5.2335 7.1361 119.5444 57.2111 30.8949 173.0965 89 R 4.0184 8.7415 123.6378 57.8444 29.8043 176.5786 90 N 4.3248 9.7111 121.0681 54.0396 37.4460 175.1088 91 G 4.4695 7.9803 111.2489 45.8799 0.0000 178.3825 92 A 4.0341 8.8524 127.1849 54.8351 18.1670 178.6957 93 D 4.5426 7.8581 114.1689 56.2605 41.1424 176.9748 94 G 4.5706 8.1677 106.7694 45.2080 0.0000 173.1113 95 I 4.9032 7.6922 120.4781 59.0297 40.2150 174.6461 96 L 4.3237 8.4295 129.9478 53.9665 43.4174 175.1522 97 V 4.5134 8.3670 126.3499 61.2153 33.5010 174.4458 98 V 4.3285 8.5863 128.5556 61.4238 33.9688 174.3055 99 D 5.1851 8.5231 126.2653 52.3759 41.8158 173.3981 100 L 4.2259 8.9305 122.3857 54.0510 43.3041 175.3062 101 E 4.6768 8.7749 125.6258 55.0301 30.2849 176.3153 102 V 3.9060 7.9819 119.6702 61.5133 32.5488 175.6805 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 Q 8.33 4.60 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 0 G 9.42 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.74 4.71 0.00 1.82 1.69 0.93 0.82 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 3 Y 9.48 4.73 0.00 2.81 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 4 H 9.36 5.25 0.00 3.54 3.61 0.00 5.76 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.80 4.86 0.00 1.72 1.42 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.84 4.86 0.67 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 0.99 0.00 0.00 0.60 0.00 0.00 *8 L 8.17 4.39 0.00 1.95 1.76 1.25 0.98 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 9 E 9.03 4.92 0.00 2.04 1.88 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 2.25 2.54 0.00 10 P 0.00 4.83 0.00 1.95 2.00 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 11 E 9.51 4.44 0.00 1.98 1.81 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 2.20 2.23 0.00 12 G 9.19 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 3.95 0.00 2.00 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 2.23 1.88 0.00 14 G 9.03 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 15 A 7.63 3.96 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 *17 D 8.16 4.54 0.00 2.87 2.76 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 18 R 7.84 4.08 0.00 2.01 1.96 0.00 3.28 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.74 0.00 19 I 7.44 3.68 1.73 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 1.33 0.46 0.74 0.00 0.00 *21 E 8.37 4.33 0.00 2.17 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 2.28 2.47 0.00 22 A 7.75 3.89 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 *24 A 8.18 4.32 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 25 I 7.64 3.75 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 1.49 1.37 0.86 0.00 0.00 26 L 7.97 3.81 0.00 1.49 0.88 0.60 0.73 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 27 D 8.26 4.65 0.00 2.89 2.83 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 0.00 0.00 0.00 28 G 7.73 3.70 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 0.00 0.00 0.00 29 L 7.69 4.06 0.00 1.76 1.68 0.63 1.28 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 30 A 7.87 3.90 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 31 P 0.00 4.25 0.00 2.03 2.14 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 32 E 8.27 4.47 0.00 1.98 1.99 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 2.32 2.56 0.00 33 L 7.60 4.58 0.00 1.90 1.71 1.12 0.77 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 34 P 0.00 4.29 0.00 2.20 2.20 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 35 G 8.14 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.57 4.64 0.00 1.67 1.72 0.62 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.57 4.26 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 38 E 7.51 4.65 0.00 1.91 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 2.19 2.23 0.00 39 F 8.76 5.44 0.00 2.84 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 40 R 8.58 4.50 0.00 1.53 1.54 0.00 3.15 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.57 0.00 41 H 8.06 5.11 0.00 3.20 3.00 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.56 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 0.00 0.00 0.00 43 P 0.00 4.75 0.00 2.10 2.20 0.00 3.70 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 1.97 2.02 0.00 44 N 8.79 4.50 0.00 2.58 2.88 0.00 0.00 7.20 7.62 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 45 R 8.31 3.61 0.00 0.88 0.66 0.00 3.49 0.00 0.00 3.01 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 46 D 7.72 4.20 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 47 F 7.57 4.35 0.00 3.13 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 48 E 8.26 4.37 0.00 1.99 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 2.32 2.40 0.00 49 Q 7.77 3.79 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 7.31 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 50 K 8.62 4.69 0.00 1.67 1.78 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.44 7.81 51 S 7.87 4.66 0.00 4.11 4.07 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 52 E 8.45 4.00 0.00 2.01 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 2.23 1.87 0.00 53 R 7.89 3.82 0.00 1.38 0.90 0.00 2.85 0.00 0.00 2.62 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.38 0.00 54 Y 7.80 5.27 0.00 3.04 2.75 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 0.00 0.00 0.00 55 P 0.00 4.48 0.00 2.20 2.34 0.00 4.04 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 56 Y 7.58 4.97 0.00 3.14 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 57 G 7.89 4.26 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 0.00 58 F 8.56 5.35 0.00 3.06 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 59 L 9.35 5.20 0.00 1.59 1.38 0.88 0.85 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 60 C 9.31 5.16 0.00 2.81 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 0.00 0.00 0.00 61 T 8.36 4.56 3.96 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 0.00 0.00 1.14 0.00 0.00 62 F 8.97 5.34 0.00 2.95 3.02 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 63 T 8.83 4.13 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 1.29 0.00 0.00 64 D 7.81 4.68 0.00 2.89 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 65 K 8.70 3.89 0.00 1.88 1.84 0.00 1.55 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.54 7.81 66 A 8.02 3.94 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 67 A 8.30 4.01 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 68 L 7.45 2.44 0.00 1.07 1.57 0.40 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.19 4.28 0.00 2.82 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.99 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 71 Y 7.74 4.05 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 72 A 7.73 3.78 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 73 V 7.59 3.75 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 0.78 0.00 0.00 1.02 0.00 0.00 74 H 7.67 3.87 0.00 3.38 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.22 0.00 2.24 2.24 0.00 3.29 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 76 T 8.03 3.94 4.26 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 1.17 0.00 0.00 77 H 8.12 3.91 0.00 2.76 3.28 0.00 5.69 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 78 Q 8.03 3.66 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 79 R 7.56 3.79 0.00 1.79 2.07 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 80 A 7.49 4.18 1.27 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 0.00 0.00 81 G 8.72 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 G 8.22 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 *84 L 7.94 4.32 0.00 1.85 1.89 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.98 3.63 2.22 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 1.06 0.00 0.00 1.01 0.00 0.00 86 A 8.00 4.16 1.31 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 0.00 0.00 87 S 7.80 4.47 0.00 3.99 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 88 C 7.14 5.23 0.00 3.12 2.97 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 89 R 8.74 4.02 0.00 1.83 1.83 0.00 3.23 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 90 N 9.71 4.32 0.00 3.05 2.88 0.00 0.00 7.05 7.84 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 91 G 7.98 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 0.00 0.00 0.00 0.00 92 A 8.85 4.03 1.32 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 93 D 7.86 4.54 0.00 2.85 2.76 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 94 G 8.17 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 95 I 7.69 4.90 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.78 0.93 0.00 0.00 96 L 8.43 4.32 0.00 1.57 1.01 0.90 0.47 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 97 V 8.37 4.51 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 0.80 0.00 0.00 0.92 0.00 0.00 98 V 8.59 4.33 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 0.99 0.00 0.00 0.86 0.00 0.00 99 D 8.52 5.19 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 4.23 0.00 1.65 1.55 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.77 4.68 0.00 1.98 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 2.22 2.33 0.00 102 V 7.98 3.91 1.72 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 0.46 0.00 0.00 0.01 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.