NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3058 8.3049 120.3512 55.4783 32.0823 174.2428 2 E 4.0927 8.3565 124.7008 54.2312 28.7715 174.7750 3 L 4.2003 9.1075 125.9006 54.1765 43.0737 176.6054 4 I 4.3035 8.3357 125.2325 59.7057 38.1831 175.0545 5 R 4.4510 8.5492 126.4153 54.9111 30.9703 175.0741 6 F 5.0202 8.0843 118.8033 55.6804 40.9593 173.1476 7 S 4.7578 8.5732 115.1213 56.3679 65.4235 173.2576 8 I 4.6999 7.8376 113.5093 59.3354 40.4833 174.5354 9 S 4.6925 8.5586 117.4170 56.8731 64.2880 173.8990 10 I 4.5342 8.0224 125.8713 57.7137 40.3819 174.1971 11 P 4.2345 0.0000 0.0000 63.4272 32.3703 177.0431 12 S 4.1049 8.8353 118.0642 61.8417 62.8174 176.9045 13 K 3.8466 8.0251 121.2293 59.4708 31.9151 178.1709 14 L 3.9319 7.8789 119.9158 58.2850 41.9746 178.5772 15 L 3.9937 8.0363 120.1490 57.8837 41.9544 178.4755 16 E 3.9221 8.7503 119.7512 59.3373 29.6252 178.8320 17 K 3.9993 8.1217 119.6499 59.2500 32.1287 178.4841 18 F 4.1203 8.6051 121.3926 61.4862 39.3506 176.8394 19 D 4.2668 8.5806 118.8412 57.2403 40.6834 178.5441 20 Q 3.9049 8.0912 120.0114 59.2679 29.0119 178.5200 21 I 3.6552 7.8117 120.7287 64.5048 37.1046 178.3136 22 I 3.6797 7.5905 120.8604 64.3665 36.9396 177.9807 23 E 3.8970 8.0466 119.8039 59.5178 29.3036 178.3304 24 E 3.8983 7.7177 116.4679 59.7899 29.6919 179.1028 25 I 3.7690 7.7677 119.4927 63.1657 37.1805 177.0451 26 G 4.0474 7.5312 106.7388 45.6024 0.0000 173.3480 27 Y 4.3839 7.7899 116.6675 57.4305 38.6487 175.7269 28 E 4.2803 8.8913 121.4987 58.8444 30.2947 176.5953 29 N 4.8441 7.5462 114.2724 50.8686 41.2286 175.4339 30 R 3.9927 8.4410 119.0249 59.3448 30.0233 179.3038 31 S 4.0502 8.0672 114.5263 61.5801 62.9759 176.1048 32 E 3.9103 9.3644 122.3021 59.3961 29.4167 178.8018 33 A 3.0348 7.3811 120.4774 54.9475 18.2805 179.7335 34 I 3.7424 8.4887 118.7853 64.2758 36.9936 178.8431 35 R 3.9567 8.3750 119.5342 59.5011 29.9652 178.7042 36 D 4.4463 7.9708 118.0143 57.5067 40.9448 178.9942 37 L 4.1051 8.0018 119.4222 57.9232 41.6597 179.6754 38 I 3.9295 8.2595 120.2532 64.2089 36.8611 178.7882 39 R 3.9772 8.3613 119.5156 59.3966 29.9483 178.6122 40 D 4.4070 8.2342 117.8611 57.1261 41.1627 177.9695 41 F 4.2848 8.3096 121.0996 61.3800 39.4213 177.1872 42 I 3.5104 7.8768 119.3316 64.3774 36.6715 178.4572 43 I 3.7363 7.3405 119.3946 64.5529 37.0253 178.5213 44 R 4.1297 7.9194 117.6354 58.3226 30.2239 177.6209 45 H 4.7413 7.6129 113.4115 55.0100 29.4521 175.6382 46 E 3.8724 8.1565 122.6673 59.2699 29.2295 179.1457 47 W 3.9371 8.4514 113.6453 59.1369 27.9251 176.4869 48 E 3.2739 7.0330 116.8436 56.7702 29.1576 176.5745 49 V 3.7044 8.0097 120.5956 64.9932 31.5707 174.6195 50 G 3.9620 9.8255 116.1561 44.3055 0.0000 172.9734 51 N 4.9835 8.0864 114.0095 51.9687 38.4820 174.7723 52 E 4.4752 8.1213 117.9371 55.2142 33.1619 175.3211 53 E 4.7224 8.5929 120.1280 56.2655 31.0136 175.8654 54 V 5.1221 9.2567 118.6402 59.8697 36.7241 174.1281 55 A 4.8495 9.0794 122.5409 49.9439 22.9177 176.7339 56 G 3.8967 7.1573 105.7968 46.0562 0.0000 171.6486 57 T 5.1403 8.2742 112.0141 60.1267 73.0884 173.5421 58 I 4.7462 8.6703 124.2624 60.0925 39.8103 174.5910 59 T 5.0993 9.3982 125.6295 61.8151 70.4634 173.9286 60 I 5.1235 9.1724 120.1973 58.9896 41.5065 174.5332 61 V 4.9984 8.6171 123.2881 61.3913 34.0968 173.9879 62 Y 5.2675 8.6209 124.9745 55.7494 42.4178 173.6373 63 N 5.6641 9.2005 119.6805 51.6142 39.4764 175.2071 64 H 4.7316 8.8872 122.0866 57.2902 29.1140 175.8922 65 D 4.5006 7.8501 119.8127 55.1772 41.4239 175.4002 66 E 4.2378 8.3320 121.7010 55.6171 29.8925 175.8689 67 G 3.8898 8.4221 119.1069 47.2660 0.0000 173.0524 68 D 5.0087 8.2263 115.1370 53.1732 41.8969 178.5624 69 V 3.5653 7.5567 121.0411 64.7053 31.1522 177.4644 70 V 3.4433 7.6609 118.3621 65.8285 31.5676 177.8542 71 K 3.9155 8.1480 118.6733 59.1561 32.0919 178.5778 72 A 3.9685 8.1898 121.4523 54.9400 18.2549 179.5100 73 L 3.8582 8.0073 117.6612 58.0931 41.6749 179.7216 74 L 3.9964 8.1156 119.0020 58.0061 41.5437 179.5105 75 D 4.3255 8.2522 118.7899 57.3014 40.6565 178.5966 76 L 4.0719 8.0675 120.8725 58.2185 41.8505 179.0617 77 Q 4.1077 8.2251 117.6180 59.1070 28.7248 177.6992 78 H 4.2402 8.3715 118.8672 59.0682 29.9328 176.6252 79 E 3.9360 8.1395 120.5222 58.3978 29.8556 177.6604 80 Y 4.7899 7.5717 116.9216 57.2356 39.3676 177.3332 81 L 4.2164 7.9388 120.2281 57.6989 40.8063 177.5505 82 D 4.5237 8.0818 119.4349 56.4078 41.2891 176.8651 83 E 4.6081 8.3296 115.6355 56.0833 30.6183 175.5493 84 I 4.4928 7.5638 120.0745 60.2884 36.6305 175.4521 85 I 4.0027 8.6577 127.5644 64.1087 37.4982 176.7919 86 S 4.7106 7.6016 114.8872 57.8735 67.3162 173.8945 87 S 5.1734 8.5379 116.5486 56.8985 66.7902 173.4194 88 L 4.7256 8.7694 123.0830 53.2591 44.4282 175.0447 89 H 5.1935 8.8346 120.5414 54.1838 30.7324 173.9793 90 V 4.3486 9.0764 124.7903 61.0453 33.6550 174.3584 91 H 4.5839 8.9449 128.2839 56.4129 30.5864 173.7169 92 M 4.3192 8.3423 125.9906 56.4867 33.1126 175.3654 93 D 4.5641 7.5186 115.3625 52.1106 42.3592 175.0466 94 E 3.7680 8.7823 118.8812 59.2600 30.0606 177.0351 95 H 4.9207 8.0163 114.0593 56.4645 31.4678 174.7952 96 N 4.9716 9.6209 117.7396 53.0642 39.6264 174.0326 97 C 4.9379 8.7541 123.5173 57.2502 35.4533 172.0544 98 L 5.0195 9.0174 127.5609 53.1969 44.3239 174.5083 99 E 5.2426 9.5839 127.0893 54.3439 33.2422 174.3834 100 V 4.8194 8.6567 125.5460 61.1892 34.4901 173.9731 101 I 4.7450 8.8693 129.1993 59.5655 39.4847 174.8172 102 V 4.3760 8.9162 128.4456 62.3142 32.7430 175.3175 103 V 5.1274 8.6198 120.0913 59.8303 36.5152 174.4513 104 K 4.9103 8.5718 122.6520 54.3380 36.1406 175.6967 105 G 4.2143 8.6329 113.9145 46.0547 0.0000 171.1682 106 E 4.5210 8.1705 119.1810 56.1397 30.1581 177.8687 107 A 4.3166 9.4598 126.6321 55.6799 18.4042 180.0518 108 K 3.8497 9.2231 117.1491 59.6754 32.1737 179.4954 109 K 3.9396 8.0195 119.2021 59.4655 32.1269 178.7121 110 I 3.6697 7.9475 120.1405 64.2830 36.9885 178.4416 111 K 4.0945 8.5311 119.6177 59.6766 31.8789 178.8818 112 M 3.9596 7.9291 118.2344 58.7742 32.0730 178.2956 113 I 3.3199 7.5977 119.4964 64.2593 37.1577 178.2905 114 A 3.9822 8.1596 121.6622 55.1827 18.1910 179.3565 115 D 4.3156 8.2906 117.4192 57.4543 40.7024 179.0546 116 K 3.9351 7.7163 117.4219 59.5072 32.5370 178.7547 117 L 4.1324 8.0792 119.1845 58.2715 41.4653 179.9797 118 L 4.0998 8.0384 117.0824 57.7259 41.5608 179.5026 119 S 4.2686 7.9755 114.4242 60.0431 62.9139 174.9712 120 L 4.1049 7.1464 121.4379 54.8346 42.0418 176.3896 121 K 4.4232 8.2082 120.9047 56.8715 33.3260 176.9584 122 G 4.5221 8.9277 110.3575 44.5993 0.0000 173.3172 123 V 4.3595 6.9774 119.4489 61.7684 31.8887 175.5390 124 K 4.2325 8.9717 127.9103 59.2191 32.6714 177.0205 125 H 5.0852 8.0730 114.6692 54.5357 33.7070 172.4920 126 G 4.6080 8.4940 105.2180 45.3451 0.0000 172.4592 127 K 4.8796 9.2346 123.5601 54.6538 36.1933 174.6368 128 L 5.2091 8.6426 125.5910 52.8873 44.9193 176.0752 129 V 4.2513 8.6855 122.8471 61.4860 33.7230 174.1366 130 M 4.9207 8.0141 126.1514 54.0542 36.1069 174.6417 131 T 4.7333 7.9690 113.3463 60.8047 71.4093 173.0322 132 S 4.9955 8.7252 122.2966 58.5921 63.9913 173.6746 133 T 4.1897 8.4898 113.0793 62.2531 69.8467 175.6573 134 G 4.0271 10.0101 109.1511 45.9200 0.0000 171.6658 135 K 4.1156 8.3619 124.6022 57.5723 37.8834 175.1940 *136 E 4.1630 8.2592 117.6870 56.0786 30.3413 177.0735 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 8.30 4.31 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 2 E 8.36 4.09 0.00 2.09 1.93 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 2.30 2.35 0.00 3 L 9.11 4.20 0.00 1.66 1.65 0.94 0.92 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 4 I 8.34 4.30 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.72 0.99 0.00 0.00 5 R 8.55 4.45 0.00 1.79 1.85 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 6 F 8.08 5.02 0.00 3.11 2.92 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 7 S 8.57 4.76 0.00 3.93 3.82 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 I 7.84 4.70 1.87 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 1.27 0.64 1.05 0.00 0.00 9 S 8.56 4.69 0.00 3.84 3.80 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 10 I 8.02 4.53 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.80 0.00 0.00 11 P 0.00 4.23 0.00 2.24 2.19 0.00 3.68 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 2.05 2.05 0.00 12 S 8.84 4.10 0.00 3.88 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 13 K 8.03 3.85 0.00 1.82 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.51 7.81 14 L 7.88 3.93 0.00 1.78 1.75 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.04 3.99 0.00 1.88 1.81 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.75 3.92 0.00 2.15 2.17 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 2.32 2.38 0.00 17 K 8.12 4.00 0.00 1.92 1.85 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 18 F 8.61 4.12 0.00 3.24 3.22 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 0.00 19 D 8.58 4.27 0.00 2.91 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 20 Q 8.09 3.90 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 21 I 7.81 3.66 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.88 0.00 0.00 22 I 7.59 3.68 1.62 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 -0.08 0.86 0.00 0.00 23 E 8.05 3.90 0.00 2.13 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 2.30 2.35 0.00 24 E 7.72 3.90 0.00 2.12 1.98 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 2.34 2.62 0.00 25 I 7.77 3.77 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.65 0.00 0.00 26 G 7.53 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 27 Y 7.79 4.38 0.00 3.13 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 28 E 8.89 4.28 0.00 2.02 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 2.30 2.33 0.00 29 N 7.55 4.84 0.00 2.94 2.90 0.00 0.00 6.28 7.66 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 30 R 8.44 3.99 0.00 1.88 2.07 0.00 3.15 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 31 S 8.07 4.05 0.00 4.02 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 32 E 9.36 3.91 0.00 2.20 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 2.49 2.66 0.00 33 A 7.38 3.03 0.63 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 34 I 8.49 3.74 1.90 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 1.36 0.76 0.87 0.00 0.00 35 R 8.38 3.96 0.00 2.04 2.03 0.00 3.17 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 1.69 1.92 0.00 36 D 7.97 4.45 0.00 3.06 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 37 L 8.00 4.11 0.00 1.92 1.74 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.26 3.93 2.08 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 1.54 1.03 1.02 0.00 0.00 39 R 8.36 3.98 0.00 2.07 2.03 0.00 3.19 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 40 D 8.23 4.41 0.00 2.89 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 41 F 8.31 4.28 0.00 3.31 3.35 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 42 I 7.88 3.51 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.97 0.90 0.00 0.00 43 I 7.34 3.74 2.05 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 1.54 0.57 0.93 0.00 0.00 44 R 7.92 4.13 0.00 1.85 1.90 0.00 3.15 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 45 H 7.61 4.74 0.00 2.59 2.93 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.16 3.87 0.00 2.06 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 0.00 2.31 2.48 0.00 47 W 8.45 3.94 0.00 3.54 3.23 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 0.00 48 E 7.03 3.27 0.00 1.47 1.50 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 1.47 1.47 0.00 49 V 8.01 3.70 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 0.68 0.00 0.00 0.86 0.00 0.00 50 G 9.83 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 0.00 0.00 0.00 0.00 51 N 8.09 4.98 0.00 2.68 2.72 0.00 0.00 6.82 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 52 E 8.12 4.48 0.00 2.11 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 0.00 2.39 2.36 0.00 53 E 8.59 4.72 0.00 2.09 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 2.37 2.35 0.00 54 V 9.26 5.12 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 0.82 0.00 0.00 1.01 0.00 0.00 55 A 9.08 4.85 1.14 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 0.00 0.00 56 G 7.16 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 57 T 8.27 5.14 4.19 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 1.16 0.00 0.00 58 I 8.67 4.75 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.67 0.92 0.00 0.00 59 T 9.40 5.10 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 1.23 0.00 0.00 60 I 9.17 5.12 2.07 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 1.34 1.31 0.97 0.00 0.00 61 V 8.62 5.00 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 1.08 0.00 0.00 0.96 0.00 0.00 62 Y 8.62 5.27 0.00 3.21 3.01 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 63 N 9.20 5.66 0.00 2.90 2.80 0.00 0.00 6.88 8.04 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 64 H 8.89 4.73 0.00 3.42 3.72 0.00 5.76 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 65 D 7.85 4.50 0.00 2.73 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 66 E 8.33 4.24 0.00 2.04 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 0.00 2.32 2.27 0.00 67 G 8.42 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 68 D 8.23 5.01 0.00 2.69 2.58 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 69 V 7.56 3.57 2.17 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 0.87 0.00 0.00 0.80 0.00 0.00 70 V 7.66 3.44 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 1.13 0.00 0.00 1.06 0.00 0.00 71 K 8.15 3.92 0.00 1.92 2.04 0.00 1.78 0.00 0.00 1.98 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.44 7.81 72 A 8.19 3.97 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 L 8.01 3.86 0.00 1.76 1.62 0.02 0.77 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 74 L 8.12 4.00 0.00 1.70 1.73 0.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.25 4.33 0.00 2.93 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 76 L 8.07 4.07 0.00 1.91 1.87 1.21 0.54 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 77 Q 8.23 4.11 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 78 H 8.37 4.24 0.00 3.29 3.48 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.14 3.94 0.00 1.95 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 1.47 1.99 0.00 80 Y 7.57 4.79 0.00 3.08 2.91 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 81 L 7.94 4.22 0.00 1.70 1.74 0.88 0.63 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 82 D 8.08 4.52 0.00 2.74 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 83 E 8.33 4.61 0.00 2.12 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 0.00 2.61 2.39 0.00 84 I 7.56 4.49 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.05 0.93 0.00 0.00 85 I 8.66 4.00 1.86 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 1.22 0.45 0.90 0.00 0.00 86 S 7.60 4.71 0.00 3.72 3.69 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 0.00 87 S 8.54 5.17 0.00 3.67 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 88 L 8.77 4.73 0.00 1.53 1.52 0.91 1.06 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 89 H 8.83 5.19 0.00 3.02 3.27 0.00 5.85 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 90 V 9.08 4.35 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 0.77 0.00 0.00 0.93 0.00 0.00 91 H 8.94 4.58 0.00 3.15 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.34 4.32 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 93 D 7.52 4.56 0.00 2.83 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 94 E 8.78 3.77 0.00 1.88 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 2.17 2.32 0.00 95 H 8.02 4.92 0.00 3.20 3.66 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 9.62 4.97 0.00 2.70 2.66 0.00 0.00 6.46 7.54 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 97 C 8.75 4.94 0.00 2.78 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 0.00 0.00 0.00 0.00 98 L 9.02 5.02 0.00 1.62 1.57 0.91 0.70 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 99 E 9.58 5.24 0.00 2.26 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 2.21 2.33 0.00 100 V 8.66 4.82 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 0.98 0.00 0.00 0.93 0.00 0.00 101 I 8.87 4.75 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.91 0.00 0.00 102 V 8.92 4.38 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 1.00 0.00 0.00 0.90 0.00 0.00 103 V 8.62 5.13 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 0.61 0.00 0.00 0.80 0.00 0.00 104 K 8.57 4.91 0.00 1.75 1.57 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.37 7.81 105 G 8.63 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 0.00 0.00 0.00 0.00 106 E 8.17 4.52 0.00 2.04 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 0.00 2.42 2.28 0.00 107 A 9.46 4.32 1.56 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 0.00 108 K 9.22 3.85 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.53 7.81 109 K 8.02 3.94 0.00 1.84 1.79 0.00 1.79 0.00 0.00 2.15 0.00 0.00 3.25 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.56 7.81 110 I 7.95 3.67 2.20 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.67 0.82 0.00 0.00 111 K 8.53 4.09 0.00 1.96 1.87 0.00 1.57 0.00 0.00 1.37 0.00 0.00 2.32 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.67 7.81 112 M 7.93 3.96 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 113 I 7.60 3.32 1.82 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.17 0.77 0.00 0.00 114 A 8.16 3.98 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 0.00 115 D 8.29 4.32 0.00 2.88 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.72 3.94 0.00 1.94 1.92 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.75 7.81 117 L 8.08 4.13 0.00 1.82 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.04 4.10 0.00 1.62 1.76 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.98 4.27 0.00 4.07 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 0.00 120 L 7.15 4.10 0.00 1.84 1.57 0.84 0.72 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 0.00 121 K 8.21 4.42 0.00 1.74 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.37 7.81 122 G 8.93 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 6.98 4.36 2.25 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 0.86 0.00 0.00 0.88 0.00 0.00 124 K 8.97 4.23 0.00 1.75 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.47 7.81 125 H 8.07 5.09 0.00 3.06 3.15 0.00 5.64 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 0.00 126 G 8.49 4.61 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 0.00 0.00 0.00 127 K 9.23 4.88 0.00 1.83 1.61 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.47 7.81 128 L 8.64 5.21 0.00 1.60 1.36 1.00 0.92 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 0.00 129 V 8.69 4.25 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 0.79 0.00 0.00 0.90 0.00 0.00 130 M 8.01 4.92 0.00 0.58 0.57 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.57 0.00 131 T 7.97 4.73 4.19 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 1.17 0.00 0.00 132 S 8.73 5.00 0.00 4.11 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 0.00 133 T 8.49 4.19 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 1.19 0.00 0.00 134 G 10.01 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.36 4.12 0.00 1.67 1.75 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 1.28 7.81 *136 E 8.26 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.