NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4159 8.3344 115.2915 58.4587 63.5399 173.4693 2 T 3.9919 8.5611 121.7095 63.8783 67.8364 173.7691 3 L 4.4863 8.6503 121.6527 56.1355 44.4261 176.5071 4 K 4.7229 8.0683 119.2973 55.9857 32.7354 176.8837 5 G 4.0840 8.4776 111.1287 45.2853 0.0000 170.9924 6 A 4.7722 7.9057 119.8866 50.0026 22.5775 175.5241 7 L 4.7830 9.1112 121.6077 53.5328 45.6573 175.1968 8 S 5.1582 8.8000 120.0469 56.4444 65.6982 173.0904 9 V 4.6694 8.9070 125.3619 59.7383 34.5918 174.0916 10 K 5.5214 9.0460 124.1417 53.9879 34.5783 174.7104 11 F 5.0193 7.9030 120.5909 56.2212 41.3626 172.1501 12 D 5.3384 8.9128 116.7317 52.7468 44.7935 175.6173 13 V 4.4226 8.3734 113.3733 59.6006 36.0513 176.9484 14 K 3.9868 10.5547 121.6207 58.8919 32.3733 177.9822 15 C 4.6654 8.3630 116.3038 58.7331 28.7768 172.0875 16 P 4.5662 0.0000 0.0000 62.0924 33.2817 176.8086 17 A 4.0819 8.5600 121.2374 55.8981 18.2778 179.9123 18 D 4.3881 8.0886 116.2513 57.3862 40.9030 178.8292 19 K 3.9950 8.1240 119.5968 59.5628 32.4004 178.4838 20 F 4.1044 8.6772 121.1714 61.1581 39.3909 176.9955 21 F 4.1342 9.2232 121.2664 61.3255 39.2068 177.2159 22 S 4.2100 8.8628 114.2245 61.4401 62.6745 176.2600 23 A 3.9090 7.8115 124.2369 54.6946 17.8714 179.3214 24 F 4.2049 7.5159 117.4880 61.4527 39.9032 176.9099 25 V 3.2978 7.4155 117.7642 66.1440 31.1270 177.5613 26 E 3.8651 8.2121 118.8043 59.3091 29.4519 178.1605 27 D 4.3815 8.2112 117.9454 56.6609 41.0938 177.5528 28 T 3.8226 7.1651 108.4142 63.3780 68.8379 175.7333 29 N 4.4154 7.6068 119.3743 54.8334 38.6727 175.2496 30 R 4.1537 7.0955 119.9177 54.1372 30.8694 174.8392 31 P 4.1852 0.0000 0.0000 62.9823 31.8345 176.1791 32 F 4.6914 8.4214 117.6816 57.4284 39.5303 175.6439 33 E 4.7759 7.6236 117.8372 54.6590 31.9903 175.7751 34 K 3.7880 8.8759 122.1395 59.4366 32.8846 177.0487 35 N 5.0558 8.0333 115.4063 52.0586 37.2877 173.5955 36 G 4.3997 7.6900 105.1154 44.4676 0.0000 171.5022 37 K 4.8142 8.7129 120.3910 54.8944 35.5157 175.4181 38 T 4.9918 8.6358 122.8338 61.8529 71.2536 173.1376 39 E 4.7305 9.3718 125.6560 54.6091 33.1740 175.4568 40 I 4.5504 8.2845 124.3590 60.1681 37.1205 175.3290 41 E 4.2947 8.8876 128.0388 58.9293 29.9967 177.9099 42 A 4.7072 7.7871 119.4159 50.9825 22.1446 175.6147 43 V 4.5707 8.0912 120.0979 60.2640 34.4143 174.2183 44 D 4.6136 8.9328 121.7374 52.4908 42.3926 175.8113 45 L 4.1720 8.5281 126.6213 56.3177 42.2138 178.6592 46 V 3.8274 7.8509 117.8460 64.8659 31.8986 176.5606 47 K 4.1130 8.3596 116.0432 55.6562 32.6032 177.0750 48 K 2.0000 7.3846 117.0560 56.3807 29.2841 173.3668 49 T 5.3487 6.9345 108.5838 60.2054 72.7539 173.8215 *51 T 4.8473 8.2202 118.4212 63.6680 70.2265 172.9996 52 I 5.0887 8.9435 118.4297 59.6293 41.7390 174.4641 53 Q 4.9209 9.1059 125.9013 54.5934 32.3057 173.9566 *55 S 4.5681 8.3828 113.5322 57.5576 64.8577 173.3325 56 G 4.9520 8.5611 111.4096 44.5974 0.0000 173.5904 57 S 4.1123 8.6125 116.8356 61.8481 62.6013 176.9842 58 E 4.2068 8.3797 120.0804 59.5978 29.3687 179.3104 59 I 3.9380 7.6790 118.2260 64.6592 37.1710 178.3748 60 Q 5.1209 8.4793 117.5957 56.9739 28.5086 178.2737 61 K 3.9679 7.6285 120.3659 59.2349 32.5347 177.4758 62 Y 4.0501 7.9279 115.6473 57.7163 38.8167 175.4316 63 F 5.2809 8.1381 118.6502 55.4433 41.5190 176.5124 64 K 4.2042 8.8365 124.9556 59.3462 32.7367 177.7673 65 T 4.8647 7.9287 114.9236 61.9888 73.2003 173.0042 66 L 5.0284 8.3847 126.1027 53.7797 45.4756 175.0218 67 K 4.8353 9.4545 125.1005 54.7239 36.6363 175.2092 68 G 3.8168 9.3065 112.4382 44.3183 0.0000 172.2556 69 S 5.1166 8.3559 121.7502 56.7780 65.5444 173.3946 70 I 5.0051 8.8558 125.0121 60.1908 40.4524 174.5152 71 A 4.6007 8.4668 127.6947 50.9073 22.1630 175.1352 72 V 4.9134 9.2300 123.7154 61.6308 33.8736 175.1441 73 T 4.7178 8.7514 117.4070 59.0029 72.1018 171.5763 74 P 4.4679 0.0000 0.0000 63.0823 31.4202 176.6164 75 I 3.9419 8.4506 125.3704 62.9427 37.9355 176.5170 76 G 3.9224 7.4076 112.5636 46.2495 0.0000 175.8294 77 V 4.2622 8.8489 119.9741 60.5148 30.8476 174.9910 78 G 4.0745 8.0321 108.5320 45.6918 0.0000 173.4549 79 D 4.2953 7.8114 116.8719 54.7251 40.8113 177.4774 80 G 4.0730 8.7923 108.6579 44.8544 0.0000 172.7219 81 S 4.9623 8.1599 112.8716 57.2540 67.7527 173.0879 82 H 5.2642 8.7245 119.4809 53.6912 31.0045 174.3123 83 V 4.3988 8.2459 121.8047 61.0473 34.8589 174.5639 84 V 4.8159 9.0855 128.6595 60.7239 32.1256 172.5462 85 W 5.0459 8.7940 135.0000 56.5131 32.5047 174.7141 86 T 4.6846 7.9189 122.5527 61.6562 72.6424 172.6296 87 F 5.2588 9.1814 124.5106 56.2318 41.2749 174.3078 88 H 5.0045 9.3325 121.7854 54.1272 31.4661 173.7765 89 F 5.2466 7.7432 115.9878 56.4444 42.0733 172.3266 90 E 5.2399 9.0328 119.0057 54.5736 32.3175 175.0450 91 K 4.6225 9.1785 126.9045 56.4504 32.6248 178.0023 92 V 3.9823 8.3457 116.0743 64.4407 32.0346 176.9366 93 H 4.9404 7.8575 114.0150 53.3237 31.2455 174.1303 94 K 3.7867 8.8512 121.0752 60.2746 32.0937 176.9408 95 D 4.7074 8.1219 116.2699 54.1694 41.1468 176.5279 96 I 3.7659 7.4334 121.3937 60.9586 37.5697 175.9280 97 D 4.5770 8.2491 123.4628 54.0620 41.4345 175.9696 98 D 4.5239 8.3978 121.5587 53.3217 41.8750 176.1894 99 P 4.4104 0.0000 0.0000 62.8210 30.7608 178.2740 100 H 4.3084 8.2036 117.4399 60.8209 29.2068 176.3302 101 S 4.1112 8.3413 116.7398 60.3072 62.3811 176.2369 102 I 3.6648 7.6105 121.8796 65.1397 37.3820 178.0112 103 I 3.9899 7.9996 118.8597 64.3138 37.3153 177.3487 104 D 4.3870 8.2971 118.9903 57.3218 40.9551 177.9567 105 E 4.1532 8.0485 118.2768 58.6581 29.6221 179.2000 106 S 3.8307 8.2582 116.1412 61.4784 62.8521 176.5187 107 V 3.0630 7.7002 120.8520 65.9706 31.1397 178.2353 108 K 3.8971 7.5484 116.8869 59.4653 31.8580 178.7839 109 Y 3.9565 8.1673 120.2743 60.6979 38.6413 178.0675 110 F 4.2541 8.5355 119.1307 60.4090 38.9313 177.9169 111 K 4.1153 8.4046 118.5186 59.3788 31.8541 179.5617 112 K 3.9284 8.1050 118.8449 59.1957 31.9077 179.0463 113 L 3.7930 7.6811 120.6480 58.0768 41.9708 178.2921 114 D 4.6244 8.6700 118.2913 57.6934 41.1258 178.0578 115 E 3.9705 8.5114 118.7142 59.5732 29.2387 178.9061 116 A 3.9963 8.0315 120.7112 55.6309 18.2252 179.8112 117 I 3.6611 7.7377 110.2279 63.6261 37.8199 177.8013 118 L 4.2379 8.0057 121.9201 57.4123 41.9409 177.4334 119 N 4.9484 8.3292 114.6939 52.8763 39.1800 174.8739 120 F 4.5638 7.7155 128.6482 58.3855 39.7145 174.7095 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 S 8.33 4.42 0.00 3.85 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 2 T 8.56 3.99 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 1.24 0.00 0.00 3 L 8.65 4.49 0.00 1.71 1.87 1.02 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.07 4.72 0.00 1.65 1.70 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.41 7.81 5 G 8.48 4.08 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 0.00 6 A 7.91 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.11 4.78 0.00 1.98 1.70 0.93 1.04 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 8 S 8.80 5.16 0.00 3.76 3.62 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 0.00 0.00 0.00 9 V 8.91 4.67 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 0.99 0.00 0.00 1.11 0.00 0.00 10 K 9.05 5.52 0.00 1.74 1.72 0.00 1.55 0.00 0.00 2.37 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.14 7.81 11 F 7.90 5.02 0.00 3.15 3.11 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 12 D 8.91 5.34 0.00 2.61 2.47 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 13 V 8.37 4.42 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 0.49 0.00 0.00 0.16 0.00 0.00 14 K 10.55 3.99 0.00 1.82 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.56 7.81 15 C 8.36 4.67 0.00 3.07 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 16 P 0.00 4.57 0.00 2.30 2.19 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 17 A 8.56 4.08 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 18 D 8.09 4.39 0.00 2.75 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 19 K 8.12 4.00 0.00 1.89 2.04 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.58 7.81 20 F 8.68 4.10 0.00 3.29 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 21 F 9.22 4.13 0.00 3.30 3.20 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 0.00 0.00 0.00 22 S 8.86 4.21 0.00 4.12 4.33 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 23 A 7.81 3.91 1.30 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 0.00 0.00 0.00 24 F 7.52 4.20 0.00 2.66 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 25 V 7.42 3.30 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 0.86 0.00 0.00 0.60 0.00 0.00 26 E 8.21 3.87 0.00 2.15 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 2.28 2.31 0.00 27 D 8.21 4.38 0.00 2.95 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 28 T 7.17 3.82 4.13 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 0.00 0.00 0.76 0.00 0.00 29 N 7.61 4.42 0.00 2.67 2.85 0.00 0.00 6.95 9.00 0.00 0.00 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 7.10 4.15 0.00 1.69 1.69 0.00 3.11 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 31 P 0.00 4.19 0.00 2.07 2.13 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 32 F 8.42 4.69 0.00 3.07 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 33 E 7.62 4.78 0.00 2.15 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 2.34 2.39 0.00 34 K 8.88 3.79 0.00 1.74 1.91 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 35 N 8.03 5.06 0.00 2.68 2.74 0.00 0.00 6.76 7.77 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 36 G 7.69 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 0.00 0.00 0.00 0.00 37 K 8.71 4.81 0.00 1.77 1.65 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.42 7.81 38 T 8.64 4.99 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 1.32 0.00 0.00 39 E 9.37 4.73 0.00 1.89 1.83 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 2.23 2.28 0.00 40 I 8.28 4.55 1.89 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 1.35 0.53 0.95 0.00 0.00 41 E 8.89 4.29 0.00 1.92 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 2.37 2.30 0.00 42 A 7.79 4.71 1.23 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 0.00 0.00 43 V 8.09 4.57 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 0.77 0.00 0.00 1.13 0.00 0.00 44 D 8.93 4.61 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.53 4.17 0.00 1.71 1.76 1.25 1.04 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 46 V 7.85 3.83 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 0.77 0.00 0.00 0.91 0.00 0.00 47 K 8.36 4.11 0.00 1.69 1.74 0.00 2.02 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.35 7.81 48 K 7.38 2.00 0.00 2.01 1.44 0.00 1.48 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.20 7.81 49 T 6.93 5.35 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 1.25 0.00 0.00 *51 T 8.22 4.85 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 1.21 0.00 0.00 52 I 8.94 5.09 2.09 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.47 1.00 0.00 0.00 53 Q 9.11 4.92 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 *55 S 8.38 4.57 0.00 4.01 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 56 G 8.56 4.95 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 0.00 0.00 0.00 57 S 8.61 4.11 0.00 3.87 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 58 E 8.38 4.21 0.00 2.24 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 0.00 2.45 2.39 0.00 59 I 7.68 3.94 1.96 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 1.55 0.71 1.03 0.00 0.00 60 Q 8.48 5.12 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 61 K 7.63 3.97 0.00 1.93 1.67 0.00 1.14 0.00 0.00 1.41 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.89 1.24 7.81 62 Y 7.93 4.05 0.00 2.44 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 0.00 0.00 0.00 63 F 8.14 5.28 0.00 3.09 3.13 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 0.00 0.00 0.00 64 K 8.84 4.20 0.00 1.75 1.92 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.57 7.81 65 T 7.93 4.86 4.33 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 1.26 0.00 0.00 66 L 8.38 5.03 0.00 1.36 1.44 0.28 0.14 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 67 K 9.45 4.84 0.00 1.70 1.63 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 68 G 9.31 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 0.00 0.00 0.00 69 S 8.36 5.12 0.00 3.71 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 70 I 8.86 5.01 2.51 0.00 0.00 0.41 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 1.40 1.39 0.00 0.00 71 A 8.47 4.60 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 72 V 9.23 4.91 2.26 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 0.90 0.00 0.00 1.25 0.00 0.00 73 T 8.75 4.72 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 1.17 0.00 0.00 74 P 0.00 4.47 0.00 1.94 2.01 0.00 3.64 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 2.00 2.10 0.00 75 I 8.45 3.94 1.97 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 0.46 0.19 0.86 0.00 0.00 76 G 7.41 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 77 V 8.85 4.26 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 0.85 0.00 0.00 0.92 0.00 0.00 78 G 8.03 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 0.00 0.00 0.00 79 D 7.81 4.30 0.00 2.64 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 80 G 8.79 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 0.00 0.00 0.00 81 S 8.16 4.96 0.00 3.45 3.62 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 0.00 0.00 0.00 82 H 8.72 5.26 0.00 2.97 3.03 0.00 5.56 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 83 V 8.25 4.40 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 0.37 0.00 0.00 0.33 0.00 0.00 84 V 9.09 4.82 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 0.87 0.00 0.00 0.86 0.00 0.00 85 W 8.79 5.05 0.00 3.29 3.07 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 86 T 7.92 4.68 3.98 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 0.88 0.00 0.00 87 F 9.18 5.26 0.00 3.07 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 88 H 9.33 5.00 0.00 3.01 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 7.74 5.25 0.00 3.14 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 90 E 9.03 5.24 0.00 2.08 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 2.29 2.36 0.00 91 K 9.18 4.62 0.00 1.73 1.62 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.41 1.82 7.81 92 V 8.35 3.98 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 0.67 0.00 0.00 0.89 0.00 0.00 93 H 7.86 4.94 0.00 3.28 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.85 3.79 0.00 1.91 2.07 0.00 1.58 0.00 0.00 1.73 0.00 0.00 2.80 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.56 7.81 95 D 8.12 4.71 0.00 2.85 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 96 I 7.43 3.77 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.57 0.54 0.00 0.00 97 D 8.25 4.58 0.00 2.61 2.59 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 98 D 8.40 4.52 0.00 2.74 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 99 P 0.00 4.41 0.00 1.97 1.88 0.00 3.53 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.48 0.00 100 H 8.20 4.31 0.00 3.17 3.42 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.34 4.11 0.00 3.80 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 0.00 102 I 7.61 3.66 1.81 0.00 0.00 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 1.45 0.61 0.95 0.00 0.00 103 I 8.00 3.99 2.36 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 1.63 1.49 1.04 0.00 0.00 104 D 8.30 4.39 0.00 3.14 2.78 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 0.00 105 E 8.05 4.15 0.00 2.22 1.97 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 2.57 2.33 0.00 106 S 8.26 3.83 0.00 4.12 3.74 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 0.00 107 V 7.70 3.06 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 0.54 0.00 0.00 0.71 0.00 0.00 108 K 7.55 3.90 0.00 2.02 1.82 0.00 1.80 0.00 0.00 1.56 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.67 7.81 109 Y 8.17 3.96 0.00 2.80 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 0.00 110 F 8.54 4.25 0.00 3.22 3.34 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 0.00 0.00 0.00 111 K 8.40 4.12 0.00 1.90 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.54 7.81 112 K 8.10 3.93 0.00 1.84 1.78 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 113 L 7.68 3.79 0.00 1.41 1.81 0.74 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.67 4.62 0.00 3.05 2.96 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 0.00 115 E 8.51 3.97 0.00 2.02 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 2.57 2.49 0.00 116 A 8.03 4.00 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 0.00 117 I 7.74 3.66 1.95 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 1.88 0.78 0.90 0.00 0.00 118 L 8.01 4.24 0.00 1.85 2.01 0.95 0.80 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 0.00 119 N 8.33 4.95 0.00 2.95 2.87 0.00 0.00 6.76 7.00 0.00 0.00 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 F 7.72 4.56 0.00 3.13 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 * Residues marked with a * may have inaccurate shift predictions.