NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.8090 8.3033 119.2892 55.3386 30.2028 172.1452 1 M 4.7388 8.5233 122.7842 53.1988 34.0783 173.6543 2 K 4.8691 9.1978 120.2959 54.6447 37.5181 174.5629 3 L 4.8744 8.7958 125.3771 53.8192 44.0087 175.0640 4 I 4.6630 8.7598 127.8362 60.2033 39.4004 174.7002 5 T 4.6114 8.6548 123.6050 61.4481 71.0493 172.8473 6 A 4.8633 8.6054 129.0203 50.0590 21.7654 174.9116 7 I 4.5622 8.6217 124.9305 60.2266 38.7067 175.5586 8 V 5.3140 8.3153 119.4912 57.8388 37.0303 175.4825 9 K 4.1520 8.2820 121.0618 55.9965 32.3738 176.6952 10 P 4.2537 0.0000 0.0000 65.5666 31.4578 178.5071 11 F 4.4088 7.8995 111.9541 59.2938 38.2612 176.7152 12 T 4.0831 7.1276 111.0394 62.4031 68.6883 175.9707 13 L 3.8553 7.5521 124.6937 58.5880 42.0318 178.3289 14 D 4.3240 8.0914 117.9695 57.6535 40.8129 178.1745 15 D 4.3903 8.1894 118.6567 57.5638 40.7368 179.2584 16 V 3.5058 7.9394 118.4206 65.8483 31.6412 177.7965 17 K 3.8346 8.5180 119.6816 59.9616 31.9881 178.8088 18 T 3.8423 8.0442 115.8310 66.6970 68.1674 176.5797 19 S 4.1075 8.2042 114.2353 61.2973 62.5828 176.0227 20 L 4.1103 8.1470 121.7448 58.0164 41.5345 179.3059 21 E 4.2011 7.9903 119.5754 58.9269 29.1274 179.0933 22 D 4.5018 7.9427 117.0031 56.0621 40.8966 176.8283 23 A 4.4140 7.8482 121.0208 51.6576 19.1751 177.5853 24 G 3.8125 7.9552 104.1830 45.9888 0.0000 173.7774 25 V 4.0157 7.6689 122.4498 62.0361 32.4916 176.6941 26 L 5.0183 9.3944 128.6198 51.1070 41.4009 172.4569 27 G 4.5701 7.0120 115.9803 45.7873 0.0000 170.1326 28 M 4.7716 7.7889 118.2187 54.3627 34.4195 173.6918 29 T 4.6089 8.7957 116.8536 61.8129 71.1319 173.5979 30 V 5.0448 8.4162 125.9310 61.1756 34.4742 174.4589 31 S 4.7591 8.7966 120.0426 56.9357 66.9526 172.4592 32 E 4.9403 8.6847 120.3926 55.4996 30.6200 175.7386 33 I 4.6780 8.5142 116.0840 59.2142 41.7543 174.2268 34 Q 4.6780 8.6165 122.4090 54.8080 29.5031 175.5444 35 G 4.3599 9.3859 112.4833 45.1681 0.0000 171.4711 36 Y 5.0191 8.3983 121.6365 55.4133 41.6550 174.9961 37 G 4.0246 7.6290 115.1584 46.0111 0.0000 175.0754 38 R 4.0107 9.0268 122.7729 59.6191 32.0323 179.3032 *39 Q 4.0144 8.3986 114.6212 55.7994 26.7086 181.6375 *41 G 4.5576 9.2353 102.1675 45.1110 0.0000 171.5913 42 H 5.1969 8.3973 113.9799 53.9188 32.6321 171.9667 43 T 4.6474 8.2778 112.5877 61.2461 68.6643 172.8647 44 E 4.6822 8.9154 127.3772 54.4352 34.0868 173.9527 45 V 4.9832 8.0404 120.3844 60.0262 34.5450 174.7417 46 Y 4.5817 9.3464 124.4516 56.6055 40.4343 175.1276 47 R 3.5866 9.3912 128.1424 57.1617 27.6716 176.4652 48 G 4.0582 8.6174 105.9295 45.3004 0.0000 174.4768 49 A 4.4185 7.6651 122.1329 51.3101 19.6719 177.2634 50 E 4.9809 8.8598 122.3775 56.4853 30.9738 175.3671 51 Y 4.9453 8.6870 119.7195 56.0804 42.1432 173.2848 52 S 5.1258 8.7642 114.3900 57.1126 64.3303 173.3756 53 V 4.6808 8.5954 117.9836 59.8169 35.9360 176.5709 54 D 4.4391 8.9843 122.3839 56.7697 41.1608 176.6424 55 F 5.5001 8.1046 115.9815 55.9180 41.5108 175.7701 56 V 4.3519 8.9539 120.7313 59.0538 33.8538 173.3556 57 P 4.8085 0.0000 0.0000 62.8906 31.9915 175.5746 58 K 4.7399 9.2881 122.8418 54.6274 37.2856 174.8320 59 V 4.7234 8.7130 121.1390 61.2527 34.1088 174.1150 60 R 4.8250 8.8500 128.8832 55.1128 31.6057 174.6432 61 I 4.8725 8.9301 128.5670 59.6039 39.6729 174.4623 62 E 5.0206 9.5282 127.0370 54.4553 32.4366 175.1622 63 V 4.5270 8.4269 124.2802 60.9380 34.7871 174.2511 64 V 4.5978 8.4412 128.0151 62.2982 32.3008 175.1441 65 V 4.6642 8.7166 120.3080 59.3932 36.0508 174.8363 66 D 4.9077 8.6629 120.8762 54.0930 41.7375 177.4659 67 D 4.4367 9.2035 122.7984 57.7619 41.0383 179.7844 68 S 4.1115 7.8982 112.7488 61.3443 63.4814 175.4487 69 I 3.9757 7.5335 120.1242 62.1721 37.8148 177.8589 70 V 3.6403 7.4521 120.3960 65.4136 31.1838 178.1065 71 D 4.3357 7.9939 119.0247 56.9208 40.7442 178.4585 72 K 3.9748 7.9551 119.7737 59.2281 32.1584 179.0157 73 V 3.5122 7.7410 118.5913 65.9777 31.4746 178.0297 74 V 3.5374 7.6550 118.0166 66.0793 31.2132 177.4975 75 D 4.2363 7.9888 117.2745 57.3660 41.0216 177.7295 76 S 4.0704 8.1500 113.8517 61.6784 62.3181 176.3026 77 I 3.6642 7.9742 122.2438 64.3699 37.0076 178.1839 78 V 3.5418 7.8602 119.1805 66.5756 31.0549 178.3795 79 R 3.9497 8.0891 115.7453 58.8778 29.9207 178.3492 80 A 4.2482 7.5953 119.1854 53.4074 18.9938 178.3031 81 A 4.3798 7.6287 117.1984 51.3413 20.0906 177.0876 82 R 4.2584 7.3297 118.5364 56.1841 30.5733 176.0268 83 T 4.4928 9.2549 114.6164 60.9352 70.8428 174.2278 84 G 4.0932 8.7114 108.9043 45.5913 0.0000 173.9912 85 K 4.3581 7.3863 117.8742 55.0057 33.0765 176.5588 86 I 3.8883 7.9145 113.7025 62.0768 38.1313 176.1588 87 G 3.9279 8.7751 108.9691 46.0742 0.0000 174.2670 88 D 4.3829 8.0986 121.8729 57.4358 41.5507 174.3342 89 G 4.5754 7.9013 102.3839 44.7903 0.0000 172.5215 90 K 4.8496 8.4710 118.3681 55.2698 36.9304 175.3307 91 V 5.0152 8.4837 122.6529 59.7567 33.9816 174.7253 92 W 5.1982 9.0411 121.5096 54.5977 31.7012 174.1086 93 V 5.0579 8.6423 120.9762 61.4695 33.2534 174.7219 94 S 4.9917 9.0460 120.6202 55.8331 66.8824 171.4576 95 P 4.6950 0.0000 0.0000 62.8918 32.2228 175.7519 96 V 4.2884 7.9063 121.7619 61.4327 33.0394 175.0862 97 D 4.5102 9.0414 128.3666 57.2672 41.0124 176.6042 98 T 4.5997 7.2919 109.5962 60.7623 70.5053 171.9585 99 I 4.8389 8.1657 126.0898 59.1275 41.5847 174.1869 100 V 4.9326 8.2181 126.8487 59.7923 34.7038 174.7813 101 R 4.1012 9.0618 124.5922 55.9098 30.5630 177.3134 102 V 3.5870 8.6531 126.6124 66.0896 31.8916 177.0619 103 R 4.0559 8.1177 118.6292 58.7001 30.0903 176.8276 104 T 4.2924 7.8522 105.4409 60.6370 70.4400 175.3739 105 G 3.9097 8.2811 108.9697 45.4472 0.0000 173.5228 106 E 4.0179 8.0393 119.9476 56.4002 30.1464 176.2160 107 R 4.9759 8.2920 121.7313 55.4188 33.9727 176.2254 108 G 4.0477 8.3397 108.4700 45.8314 0.0000 175.1713 109 H 4.1933 8.8595 118.0102 59.2607 30.0890 177.7108 110 D 4.2499 7.6181 116.8936 56.8161 40.6703 177.2005 111 A 4.1864 7.7856 120.3369 53.3043 18.8825 177.3061 112 L 4.2056 7.3850 120.6366 54.8322 41.7293 176.6378 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 *0 H 8.30 4.81 0.00 2.62 3.03 0.00 7.14 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.52 4.74 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.59 0.00 2 K 9.20 4.87 0.00 1.60 1.65 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 L 8.80 4.87 0.00 1.76 1.54 0.88 1.32 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 4 I 8.76 4.66 1.79 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 1.20 0.56 0.81 0.00 0.00 5 T 8.65 4.61 2.69 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 0.00 0.00 0.00 0.37 0.00 0.00 6 A 8.61 4.86 1.08 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 0.00 0.00 7 I 8.62 4.56 1.94 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 1.17 1.25 0.95 0.00 0.00 8 V 8.32 5.31 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 1.03 0.00 0.00 0.82 0.00 0.00 9 K 8.28 4.15 0.00 1.13 1.06 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.35 7.81 10 P 0.00 4.25 0.00 2.23 2.13 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 11 F 7.90 4.41 0.00 3.06 3.19 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 0.00 0.00 0.00 0.00 12 T 7.13 4.08 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 0.60 0.00 0.00 13 L 7.55 3.86 0.00 1.80 1.71 0.88 1.35 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 14 D 8.09 4.32 0.00 2.75 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 15 D 8.19 4.39 0.00 2.93 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 16 V 7.94 3.51 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 1.02 0.00 0.00 0.88 0.00 0.00 17 K 8.52 3.83 0.00 1.81 2.04 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 18 T 8.04 3.84 4.44 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 1.21 0.00 0.00 19 S 8.20 4.11 0.00 4.05 3.88 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 20 L 8.15 4.11 0.00 1.89 1.68 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.99 4.20 0.00 2.16 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 2.32 2.38 0.00 22 D 7.94 4.50 0.00 2.84 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 23 A 7.85 4.41 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 24 G 7.96 3.81 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 0.00 0.00 0.00 25 V 7.67 4.02 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 0.94 0.00 0.00 0.92 0.00 0.00 26 L 9.39 5.02 0.00 1.65 1.42 0.92 0.81 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 27 G 7.01 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 28 M 7.79 4.77 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 29 T 8.80 4.61 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 1.21 0.00 0.00 30 V 8.42 5.04 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 0.81 0.00 0.00 0.90 0.00 0.00 31 S 8.80 4.76 0.00 3.87 3.86 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 0.00 0.00 0.00 32 E 8.68 4.94 0.00 1.86 1.90 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 2.26 2.29 0.00 33 I 8.51 4.68 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.91 0.00 0.00 34 Q 8.62 4.68 0.00 1.55 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 35 G 9.39 4.36 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 0.00 36 Y 8.40 5.02 0.00 3.19 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 37 G 7.63 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 38 R 9.03 4.01 0.00 1.78 1.97 0.00 3.21 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 *39 Q 8.40 4.01 0.00 2.07 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *41 G 9.24 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.40 5.20 0.00 3.19 3.38 0.00 5.47 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.28 4.65 4.17 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 1.17 0.00 0.00 44 E 8.92 4.68 0.00 1.48 1.12 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 2.09 2.13 0.00 45 V 8.04 4.98 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 0.78 0.00 0.00 1.01 0.00 0.00 46 Y 9.35 4.58 0.00 3.20 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 47 R 9.39 3.59 0.00 1.61 1.80 0.00 2.77 0.00 0.00 2.55 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.84 0.00 48 G 8.62 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 49 A 7.67 4.42 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 50 E 8.86 4.98 0.00 1.89 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 2.28 2.31 0.00 51 Y 8.69 4.95 0.00 2.96 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 52 S 8.76 5.13 0.00 3.92 3.84 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 53 V 8.60 4.68 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 0.83 0.00 0.00 1.15 0.00 0.00 54 D 8.98 4.44 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.10 5.50 0.00 3.00 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 56 V 8.95 4.35 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 57 P 0.00 4.81 0.00 1.95 2.04 0.00 3.35 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 58 K 9.29 4.74 0.00 1.61 1.79 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.53 7.81 59 V 8.71 4.72 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 0.88 0.00 0.00 0.91 0.00 0.00 60 R 8.85 4.83 0.00 1.88 1.73 0.00 3.02 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 61 I 8.93 4.87 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.84 0.00 0.00 62 E 9.53 5.02 0.00 1.78 1.76 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 2.08 2.10 0.00 63 V 8.43 4.53 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 0.94 0.00 0.00 0.87 0.00 0.00 64 V 8.44 4.60 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 0.89 0.00 0.00 0.92 0.00 0.00 65 V 8.72 4.66 2.08 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 0.70 0.00 0.00 0.92 0.00 0.00 66 D 8.66 4.91 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.20 4.44 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 68 S 7.90 4.11 0.00 4.05 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 69 I 7.53 3.98 1.86 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 1.57 1.32 1.02 0.00 0.00 70 V 7.45 3.64 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 0.84 0.00 0.00 0.93 0.00 0.00 71 D 7.99 4.34 0.00 2.71 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 72 K 7.96 3.97 0.00 1.81 1.95 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 73 V 7.74 3.51 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 1.00 0.00 0.00 0.97 0.00 0.00 74 V 7.66 3.54 2.08 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 1.02 0.00 0.00 0.96 0.00 0.00 75 D 7.99 4.24 0.00 2.97 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 76 S 8.15 4.07 0.00 3.91 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 77 I 7.97 3.66 1.97 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 1.36 0.84 0.85 0.00 0.00 78 V 7.86 3.54 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 1.03 0.00 0.00 0.96 0.00 0.00 79 R 8.09 3.95 0.00 1.95 1.98 0.00 3.21 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 80 A 7.60 4.25 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 81 A 7.63 4.38 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 82 R 7.33 4.26 0.00 1.92 1.89 0.00 3.21 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 83 T 9.25 4.49 4.39 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 1.41 0.00 0.00 84 G 8.71 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.39 4.36 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.41 7.81 86 I 7.91 3.89 1.87 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 1.36 0.53 0.91 0.00 0.00 87 G 8.78 3.93 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 0.00 0.00 0.00 88 D 8.10 4.38 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.85 0.00 1.94 1.91 0.00 1.80 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.54 7.81 91 V 8.48 5.02 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 0.74 0.00 0.00 0.90 0.00 0.00 92 W 9.04 5.20 0.00 3.24 3.25 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 0.00 93 V 8.64 5.06 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 0.88 0.00 0.00 0.96 0.00 0.00 94 S 9.05 4.99 0.00 3.96 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 95 P 0.00 4.70 0.00 2.11 2.11 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 96 V 7.91 4.29 2.11 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 0.81 0.00 0.00 0.94 0.00 0.00 97 D 9.04 4.51 0.00 2.71 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 98 T 7.29 4.60 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 99 I 8.17 4.84 1.87 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 1.40 1.32 0.94 0.00 0.00 100 V 8.22 4.93 2.08 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 0.76 0.00 0.00 0.99 0.00 0.00 101 R 9.06 4.10 0.00 1.86 1.83 0.00 3.09 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 102 V 8.65 3.59 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 103 R 8.12 4.06 0.00 1.80 1.93 0.00 3.25 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 104 T 7.85 4.29 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 1.23 0.00 0.00 105 G 8.28 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 0.00 106 E 8.04 4.02 0.00 2.05 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 2.32 2.25 0.00 107 R 8.29 4.98 0.00 1.80 1.73 0.00 3.25 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 108 G 8.34 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 0.00 0.00 0.00 109 H 8.86 4.19 0.00 3.18 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 7.62 4.25 0.00 2.98 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 0.00 111 A 7.79 4.19 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 0.00 112 L 7.39 4.21 0.00 1.60 1.58 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.