NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2553 8.3344 116.7848 58.4477 65.2844 173.2235 -7 D 5.0968 7.8869 125.9225 52.8262 41.6495 174.5023 -6 P 4.1136 0.0000 0.0000 65.6989 32.2350 177.7861 -5 S 4.9285 8.2166 111.0035 58.8455 63.2373 174.5436 -4 S 4.7642 8.4209 117.1798 58.3789 64.1285 176.0305 -3 I 4.2905 7.8377 122.3724 62.8171 37.8829 177.6740 -2 N 4.9948 7.5395 115.9707 52.2755 39.5374 176.4284 -1 G 3.9013 7.8432 105.4604 44.7968 0.0000 172.1485 -7 G 4.4168 7.8769 114.3225 43.7262 0.0000 173.1023 -6 I 3.8636 9.3469 128.5230 63.4989 38.9350 176.8861 -5 V 4.5785 7.9366 114.5035 62.7455 32.3373 176.2436 -4 V 4.4142 8.1409 120.6798 62.2789 33.2285 177.7305 -3 A 4.4405 8.0777 126.2724 54.2171 18.1829 179.0740 -2 M 4.7348 7.4195 116.8707 54.5755 33.5374 177.5284 -1 T 4.2913 7.6632 110.2604 61.4968 67.8703 171.9485 8 G 4.0179 9.0220 111.7902 43.7766 0.0000 171.1147 9 K 4.1535 8.5787 120.6788 57.2319 31.2233 176.2709 10 D 4.4729 8.7120 127.6311 54.6897 38.4999 173.4669 11 C 4.6952 7.4318 110.9417 57.6472 32.6194 172.6367 12 V 4.9693 7.9720 112.2121 59.7559 35.3315 174.7983 13 A 4.7091 8.3826 122.8683 50.3856 22.3310 175.4450 14 I 5.3779 8.0688 119.4473 59.6946 40.9941 173.8860 15 A 4.9969 8.5404 129.7099 50.6530 22.5061 174.2509 16 C 5.3211 8.2679 112.3045 57.2429 32.6680 173.6251 17 D 4.7653 8.5129 120.2017 52.8594 41.4461 175.7076 18 L 5.0742 8.2738 115.0919 53.5469 43.6525 176.7446 19 R 4.5808 8.2087 119.7404 56.3299 31.2814 175.9284 20 L 4.3234 8.7761 126.7332 53.9903 45.0708 174.8187 21 G 4.5588 8.4622 112.9426 44.4619 0.0000 172.0548 22 S 4.4992 8.5890 113.9960 55.8454 62.4084 175.8484 23 Q 3.6901 8.5913 128.2883 56.1038 26.3034 175.9684 24 S 4.1492 8.8214 118.4830 61.9747 63.2163 174.6780 25 L 3.9615 7.8695 124.0274 54.4741 42.0075 175.8036 26 G 4.0063 8.6267 116.1399 45.3690 0.0000 172.7577 27 V 4.1635 8.4731 124.2235 63.7270 33.5339 175.7670 28 S 4.7109 7.6368 112.1721 56.9386 65.1657 173.2135 29 N 5.1659 8.7746 122.2863 52.6813 37.3791 174.6727 30 K 4.5551 8.0878 114.2144 56.6435 34.2706 177.1683 31 F 4.4083 8.4500 124.9761 57.6017 38.4865 174.1319 32 E 4.0817 8.1727 123.4453 55.4970 30.4783 176.4399 33 K 4.3843 8.3741 120.5241 55.9639 34.1228 174.9827 34 I 4.7550 7.0530 120.6120 59.4909 39.7104 174.7337 35 F 5.0044 9.3492 124.6140 56.0626 43.8883 173.2025 36 H 5.0090 7.4155 113.1165 54.2572 31.8218 172.6159 *38 Y 4.7103 7.9451 116.6474 58.8502 39.1417 175.4139 39 G 3.9133 8.1895 116.9454 47.2768 0.0000 172.9417 40 H 4.7442 8.8445 119.9082 54.7621 28.7858 173.7640 41 V 4.3283 7.3037 121.0547 61.6689 33.2696 174.5039 42 F 5.0172 9.5907 126.7043 55.7237 41.8833 174.5086 43 L 5.2781 9.5848 124.8796 53.4527 45.1640 175.1171 44 G 4.5588 9.4409 114.1442 44.6637 0.0000 172.3414 45 I 5.1232 8.8821 124.8097 59.7977 40.4077 175.2688 46 T 4.4657 8.3720 117.8509 60.3297 71.4895 172.4955 47 G 4.1669 8.7938 105.4470 44.0009 0.0000 173.3816 48 L 4.1201 9.1315 124.6277 54.9056 42.7408 178.0663 49 A 4.0945 10.4916 128.6633 55.9343 18.1260 178.8288 50 T 3.8816 8.0837 110.7007 65.8603 67.2364 175.6242 51 D 4.4174 8.1779 120.0549 57.0897 40.9579 178.6040 52 V 3.6745 8.0975 119.0349 66.3589 31.5408 178.2448 53 T 3.8178 8.4894 115.6669 67.0186 68.3948 176.6676 54 T 3.7650 8.1357 117.8618 66.6834 68.4545 176.6130 55 L 3.3131 8.1721 120.9433 57.4194 41.6068 178.9714 56 N 4.3738 7.6412 118.2025 56.2581 38.8878 176.6669 57 E 3.9512 8.0583 119.7986 59.4863 29.3582 179.2623 58 M 3.7572 7.6413 118.1600 58.6837 32.2944 178.4520 59 F 4.3605 7.9612 118.1182 60.0306 38.8485 177.8291 60 R 3.8817 7.9715 120.0895 58.9946 30.1161 177.4632 61 Y 4.0848 7.8049 118.9265 61.0039 38.6557 178.6206 62 K 4.2694 8.6405 119.5388 59.8529 32.2958 179.6326 63 T 3.9308 8.3948 110.4048 64.5557 68.5665 176.4754 64 N 4.4400 8.5715 119.9108 56.4044 38.6495 177.3783 65 L 3.9967 7.8078 119.9887 57.7303 41.6470 178.9673 66 Y 3.9814 8.3238 119.7715 60.6271 38.6885 178.1454 67 K 4.4000 8.2821 121.8561 59.0322 32.0833 178.6792 68 L 3.9635 7.7118 118.3243 57.5296 41.5810 179.3389 69 K 4.1167 7.7009 117.1139 59.3193 32.4774 179.0955 70 E 3.8725 8.2055 117.3339 56.8398 29.3641 176.9530 71 E 3.9286 8.4765 117.4202 56.4817 27.4983 174.2194 72 R 4.5626 7.3941 111.1491 54.9369 31.9285 173.8204 73 A 4.2450 8.4961 123.1207 51.7820 19.1378 177.6275 74 I 3.7389 8.1568 121.7456 61.1038 38.7215 175.7897 75 E 4.6094 8.2688 124.6166 54.0927 32.6028 175.4712 76 P 4.2953 0.0000 0.0000 66.1436 31.3590 178.5690 77 E 3.9750 8.2598 116.4135 60.0510 29.4572 179.6822 78 T 3.8775 7.8524 114.9146 66.5486 68.6186 176.3963 79 F 4.0250 8.5796 123.0198 61.4387 39.3273 177.1317 80 T 3.6135 8.2173 115.7062 66.8402 68.2132 176.4547 81 Q 3.9421 7.7484 119.3691 58.8226 28.6320 178.7478 82 L 3.8410 7.6867 121.3210 57.9668 42.0989 179.2087 83 V 3.2221 7.5080 118.5249 65.7855 31.3834 177.6903 84 S 4.0702 8.2247 113.4853 61.6090 62.3765 176.3401 85 S 4.1779 8.2756 116.9046 61.6031 62.4727 176.4540 86 S 4.1827 8.1168 117.9813 61.2828 62.7886 176.5037 87 L 4.2423 8.1446 121.5515 58.1076 41.5145 178.9760 88 Y 3.7597 8.1821 118.9256 59.9605 38.4372 177.1682 89 E 4.2042 8.0488 118.6550 57.8501 30.0613 176.9052 90 R 4.4466 7.6907 118.4045 56.0256 31.0532 177.8922 91 R 3.1673 7.0079 120.8769 58.8424 30.0526 177.2183 92 F 4.9518 8.2213 114.9002 55.1764 39.7663 175.9802 93 G 4.9904 6.7923 120.9647 45.7892 0.0000 170.5026 94 P 4.0872 0.0000 0.0000 62.1859 32.6190 175.8159 95 Y 4.1370 7.7211 116.4645 57.7278 38.8852 176.7172 96 F 4.7286 9.0051 124.1945 56.3399 37.6551 174.9050 97 V 5.0349 7.8606 113.9897 59.6246 36.5592 175.9920 98 G 4.1734 9.0405 108.7527 43.7562 0.0000 170.1637 99 P 4.9574 0.0000 0.0000 62.8393 32.8674 175.7660 100 V 4.5002 8.9933 122.0156 61.3390 35.0380 173.9678 101 V 5.1270 8.6404 126.9456 61.1997 33.8534 174.4322 102 A 4.7733 9.4284 128.4411 49.7383 22.8208 175.4434 103 G 4.2769 7.8072 107.9464 46.7243 0.0000 171.7364 104 I 4.6462 8.1082 120.1117 58.9229 39.7485 175.6700 105 N 5.1374 8.7842 121.5556 53.5144 38.7569 174.3350 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 -8 S 8.33 4.26 0.00 3.84 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 -7 D 7.89 5.10 0.00 2.75 2.54 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 -6 P 0.00 4.11 0.00 1.30 1.41 0.00 3.30 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.59 0.00 -5 S 8.22 4.93 0.00 4.03 3.95 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 -4 S 8.42 4.76 0.00 3.87 3.78 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 0.00 0.00 0.00 -3 I 7.84 4.29 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.20 0.87 0.00 0.00 -2 N 7.54 4.99 0.00 2.87 2.69 0.00 0.00 7.58 7.59 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 -1 G 7.84 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 -7 G 7.88 4.42 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 0.00 -6 I 9.35 3.86 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 1.41 0.66 0.91 0.00 0.00 -5 V 7.94 4.58 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 1.05 0.00 0.00 0.93 0.00 0.00 -4 V 8.14 4.41 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 0.93 0.00 0.00 0.93 0.00 0.00 -3 A 8.08 4.44 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 -2 M 7.42 4.73 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.66 4.29 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 1.21 0.00 0.00 8 G 9.02 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 9 K 8.58 4.15 0.00 1.70 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.71 4.47 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 11 C 7.43 4.70 0.00 2.97 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 12 V 7.97 4.97 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 0.72 0.00 0.00 0.89 0.00 0.00 13 A 8.38 4.71 1.11 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 0.00 0.00 14 I 8.07 5.38 1.82 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 1.27 1.04 0.76 0.00 0.00 15 A 8.54 5.00 1.15 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 16 C 8.27 5.32 0.00 3.08 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 17 D 8.51 4.77 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 5.07 0.00 1.61 1.73 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.21 4.58 0.00 1.85 2.02 0.00 3.22 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 20 L 8.78 4.32 0.00 1.55 1.40 0.77 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.46 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 22 S 8.59 4.50 0.00 3.77 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 23 Q 8.59 3.69 0.00 2.24 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 24 S 8.82 4.15 0.00 3.97 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 25 L 7.87 3.96 0.00 1.73 1.76 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.63 4.01 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 0.00 0.00 0.00 27 V 8.47 4.16 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 0.78 0.00 0.00 0.97 0.00 0.00 28 S 7.64 4.71 0.00 3.88 3.67 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 29 N 8.77 5.17 0.00 2.85 2.85 0.00 0.00 5.86 7.13 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 30 K 8.09 4.56 0.00 1.69 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.45 4.41 0.00 3.23 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 32 E 8.17 4.08 0.00 1.61 1.62 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 0.00 2.23 2.41 0.00 33 K 8.37 4.38 0.00 1.67 2.00 0.00 1.76 0.00 0.00 1.95 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.68 7.81 34 I 7.05 4.75 1.73 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 1.32 0.52 0.99 0.00 0.00 35 F 9.35 5.00 0.00 2.69 2.63 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 36 H 7.42 5.01 0.00 1.94 1.77 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.95 4.71 0.00 2.70 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 39 G 8.19 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 40 H 8.84 4.74 0.00 3.34 3.39 0.00 5.50 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.30 4.33 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 0.77 0.00 0.00 0.72 0.00 0.00 42 F 9.59 5.02 0.00 3.12 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 43 L 9.58 5.28 0.00 2.07 1.83 1.21 0.40 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 44 G 9.44 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 45 I 8.88 5.12 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.08 1.06 0.00 0.00 46 T 8.37 4.47 4.32 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 1.28 0.00 0.00 47 G 8.79 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 0.00 0.00 0.00 0.00 48 L 9.13 4.12 0.00 1.87 1.76 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.49 4.09 1.04 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 0.00 0.00 50 T 8.08 3.88 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 51 D 8.18 4.42 0.00 3.08 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 52 V 8.10 3.67 2.62 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 1.43 0.00 0.00 1.23 0.00 0.00 53 T 8.49 3.82 4.50 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 1.25 0.00 0.00 54 T 8.14 3.76 4.27 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 1.10 0.00 0.00 55 L 8.17 3.31 0.00 1.51 1.49 0.85 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.64 4.37 0.00 1.44 2.37 0.00 0.00 6.76 7.78 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 57 E 8.06 3.95 0.00 2.10 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 2.30 2.41 0.00 58 M 7.64 3.76 0.00 1.49 1.62 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 59 F 7.96 4.36 0.00 2.83 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 60 R 7.97 3.88 0.00 2.19 2.16 0.00 3.21 0.00 0.00 3.26 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 61 Y 7.80 4.08 0.00 3.17 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 62 K 8.64 4.27 0.00 1.99 1.99 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.60 1.70 7.81 63 T 8.39 3.93 4.18 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 0.00 0.00 0.00 0.95 0.00 0.00 64 N 8.57 4.44 0.00 2.92 2.86 0.00 0.00 6.90 6.29 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 65 L 7.81 4.00 0.00 1.78 1.73 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.32 3.98 0.00 3.16 3.16 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 0.00 0.00 0.00 0.00 67 K 8.28 4.40 0.00 2.14 1.98 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.54 7.81 68 L 7.71 3.96 0.00 1.84 1.69 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.70 4.12 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.57 7.81 70 E 8.21 3.87 0.00 1.54 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 0.00 1.57 1.47 0.00 71 E 8.48 3.93 0.00 2.07 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 2.22 2.35 0.00 72 R 7.39 4.56 0.00 2.00 2.00 0.00 3.02 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 73 A 8.50 4.25 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 74 I 8.16 3.74 1.03 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.19 0.65 0.00 0.00 75 E 8.27 4.61 0.00 2.05 1.89 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 2.41 2.38 0.00 76 P 0.00 4.30 0.00 2.19 2.17 0.00 3.66 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 2.17 2.22 0.00 77 E 8.26 3.97 0.00 2.07 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 2.42 2.50 0.00 78 T 7.85 3.88 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 1.24 0.00 0.00 79 F 8.58 4.02 0.00 3.02 3.14 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 80 T 8.22 3.61 4.40 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 1.16 0.00 0.00 81 Q 7.75 3.94 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 82 L 7.69 3.84 0.00 1.65 1.47 0.96 0.74 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 83 V 7.51 3.22 1.77 0.00 0.00 0.00 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 -0.63 0.00 0.00 84 S 8.22 4.07 0.00 3.90 3.95 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 85 S 8.28 4.18 0.00 4.09 4.10 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 86 S 8.12 4.18 0.00 4.20 4.01 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 87 L 8.14 4.24 0.00 1.93 1.76 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.18 3.76 0.00 3.07 2.94 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 0.00 0.00 0.00 89 E 8.05 4.20 0.00 2.16 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 2.29 2.35 0.00 90 R 7.69 4.45 0.00 1.70 1.65 0.00 2.96 0.00 0.00 2.86 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.28 0.00 91 R 7.01 3.17 0.00 0.67 1.00 0.00 2.56 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 8.22 4.95 0.00 2.99 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 93 G 6.79 4.99 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 0.00 0.00 0.00 94 P 0.00 4.09 0.00 1.87 1.81 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 0.00 95 Y 7.72 4.14 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 96 F 9.01 4.73 0.00 3.08 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 97 V 7.86 5.03 2.24 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 0.80 0.00 0.00 1.01 0.00 0.00 98 G 9.04 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 0.00 0.00 0.00 0.00 99 P 0.00 4.96 0.00 1.99 2.08 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 100 V 8.99 4.50 2.15 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 1.03 0.00 0.00 0.98 0.00 0.00 101 V 8.64 5.13 2.15 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 1.03 0.00 0.00 1.02 0.00 0.00 102 A 9.43 4.77 1.22 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 0.00 0.00 103 G 7.81 4.28 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 0.00 104 I 8.11 4.65 1.91 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 1.31 0.75 0.93 0.00 0.00 105 N 8.78 5.14 0.00 2.71 2.73 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.