NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2826 8.2644 123.5768 51.5904 20.2245 176.2741 3 D 4.2972 8.2536 119.3528 53.6849 41.9387 175.4060 4 T 3.8300 9.5873 124.1119 67.3328 69.3949 176.5354 5 V 3.2760 7.8459 113.6450 64.0362 31.2901 178.4579 6 L 4.0072 7.6429 118.7621 57.8024 41.5153 179.1804 7 F 4.1880 7.7219 118.9935 61.4415 39.2291 176.7134 8 E 3.5700 7.8965 118.1896 59.1081 29.4467 178.5891 9 F 4.4899 7.7275 117.7224 60.5845 38.9342 177.3978 10 L 3.8959 8.1588 120.1313 58.4385 41.9045 178.4435 11 H 3.7104 8.2760 118.4744 59.3640 29.6161 177.3533 12 T 3.9388 8.1012 117.7556 66.7714 68.2272 176.5574 13 E 3.9415 8.0882 120.3417 59.4960 29.4356 179.2857 14 M 3.9247 8.1328 119.3038 58.2198 31.4617 179.1714 15 V 3.4517 7.5128 119.0985 64.5117 31.2139 178.3042 16 A 3.9475 7.3372 120.0386 54.8685 18.6913 179.2964 17 E 3.5429 8.1393 117.1848 59.2744 29.3327 179.1344 18 L 4.2863 7.9002 116.5345 54.8568 41.5060 176.6695 19 W 4.7110 7.1544 114.1896 56.5100 28.6585 176.3705 *31 K 4.3045 8.5787 119.6363 56.4568 33.7752 177.5403 32 M 4.2380 7.7945 118.0401 57.4990 31.9404 178.5603 33 S 4.2507 7.9344 115.4604 61.5479 63.1687 176.3235 34 L 4.0440 7.9012 121.2685 57.7956 41.3373 179.2410 35 S 4.1541 7.9970 112.7161 61.2948 62.1909 176.5403 36 V 3.6109 7.7321 120.7220 65.9877 31.3692 177.9137 37 L 4.1472 8.1917 118.9141 58.0107 41.5479 179.2149 38 E 4.2806 8.8597 119.7193 59.2419 29.3919 179.0683 39 G 3.6659 8.3763 106.0422 48.0438 0.0000 175.6416 40 M 4.3183 8.5383 121.5154 58.2325 32.0027 179.1114 41 G 2.5080 8.1129 105.7643 47.1664 0.0000 175.4809 42 F 4.3173 8.1170 122.8622 61.3837 39.5460 177.5336 43 R 3.7529 7.8087 117.7504 59.0456 29.7590 179.2406 44 V 3.6843 7.7514 118.0633 65.7906 31.4420 178.3470 45 G 3.4626 8.2141 105.9379 47.6750 0.0000 175.5856 46 Q 4.2233 7.9638 121.5122 58.1668 28.5352 178.9530 47 A 3.9695 7.4772 119.7403 55.0532 18.7025 179.3776 48 L 4.1131 8.1436 117.7791 57.9028 41.7179 179.8625 49 G 3.7131 8.2560 105.8749 47.9369 0.0000 174.9896 50 E 3.9306 7.8232 120.2104 58.8601 29.6218 178.3413 51 R 4.3571 7.6734 114.9860 55.4291 30.7977 176.4287 52 L 4.4829 7.1610 119.4646 52.7514 43.5900 175.6566 53 P 4.8365 0.0000 0.0000 62.4370 29.6317 177.3318 54 R 3.6570 8.0808 120.9986 60.2170 31.0100 179.2440 55 E 3.8761 8.4266 116.8766 59.6783 29.4812 179.3275 56 T 3.8435 7.4503 107.2455 64.1912 68.9533 174.6800 57 L 4.1254 7.7961 120.8063 54.6461 42.0217 176.4550 58 A 3.8356 7.6351 123.2263 53.4815 18.5268 177.6413 59 F 4.1493 8.3586 119.2790 58.2270 36.4868 175.0540 60 R 4.6573 7.4935 118.7443 54.4890 31.9371 176.2532 61 E 4.2921 8.4903 119.7606 55.8511 30.9052 177.6446 62 E 3.8441 8.8955 122.2799 59.7460 29.7977 179.3374 63 L 4.0369 8.1646 118.2914 58.3585 41.7295 179.2963 64 D 4.4384 8.3277 118.4075 57.0816 40.7654 179.0254 65 V 3.5313 7.5429 118.6291 66.0344 31.5496 178.1805 66 L 3.9440 7.6790 118.1060 57.4739 41.4223 179.4532 67 K 4.0327 7.9014 118.3393 59.0446 31.9221 179.0468 68 F 4.2286 8.2925 121.1753 61.3805 39.4039 177.2456 69 L 4.0829 8.0347 118.3026 58.1442 41.4102 179.3632 70 C 4.0365 8.1935 116.5753 62.4541 27.8946 174.1426 71 K 4.4340 8.2057 118.2856 57.4407 33.0454 177.9379 72 D 4.1300 7.5227 118.1163 57.6478 41.0258 179.0678 73 L 3.8860 7.6159 120.3565 57.8747 42.1135 178.6848 74 W 4.1664 8.2541 128.1875 60.3020 30.6218 178.1801 75 V 3.8042 8.2102 118.1947 66.0605 30.8443 177.6880 76 A 3.8873 7.3368 119.1849 55.1585 18.1970 179.2746 77 V 3.2899 7.4105 115.1318 64.3503 30.7146 176.7883 78 F 4.7513 7.9655 114.7823 56.3043 39.6652 175.2967 79 Q 3.8060 8.4410 118.6520 55.9084 26.7134 173.5112 80 K 4.5459 7.3989 113.3964 56.1098 35.4727 174.8701 81 Q 4.6837 8.4804 118.7337 54.9390 30.1751 175.2195 82 M 3.8829 8.3871 119.2038 55.9179 32.6039 176.2077 83 D 4.7237 8.5918 124.6819 56.9513 41.7320 176.7118 84 S 4.6279 7.4513 110.0084 57.3044 65.9186 174.2830 85 L 5.1490 8.5498 123.1461 53.5665 44.5415 175.5621 86 R 4.8773 8.7975 124.3184 54.9678 34.1025 174.3911 87 T 4.8689 8.2221 114.0799 60.8872 70.4682 172.9379 88 N 4.6588 8.1013 121.8675 52.0646 37.5887 174.4433 89 H 4.0513 7.8870 113.3260 57.0449 27.0553 174.8329 90 Q 4.5345 8.7630 117.1477 55.5990 29.2803 176.9632 91 G 4.0150 8.4005 108.2521 45.0722 0.0000 173.5440 92 T 5.0617 7.4904 116.4269 62.1583 70.8155 173.3019 93 Y 5.1298 9.4603 122.8205 56.1733 42.8896 174.6386 94 V 4.7526 8.8172 121.9095 61.3384 34.3564 174.0985 95 L 4.9613 9.3005 129.2263 53.2939 43.7307 175.3941 96 Q 4.9413 8.9937 125.5899 54.2838 31.8083 173.4341 97 D 5.3076 8.8933 126.9478 52.6924 42.2840 176.7785 98 N 4.4910 10.3863 125.9406 55.7041 39.1554 176.1938 99 S 4.6468 8.3022 112.1541 56.2671 63.1187 172.4113 100 F 4.4958 8.8458 124.7973 57.6667 40.4134 173.8237 101 P 4.0355 0.0000 0.0000 65.7353 31.1736 177.9932 102 L 4.0590 6.2170 114.1349 55.9196 41.5452 176.9703 103 L 4.1357 7.6312 118.5994 55.7590 41.8043 178.9991 104 L 3.2042 7.2729 118.4399 57.9482 43.0616 176.1225 *109 G 4.0665 7.3347 109.0054 44.5615 0.0000 173.4632 110 L 4.0763 8.4153 121.6504 57.1385 41.5720 179.7470 111 Q 3.9228 7.9284 117.1553 58.4280 28.5432 176.7623 112 Y 4.7926 7.6666 117.2279 58.0169 38.1159 177.1595 113 L 4.0592 7.5543 121.2256 57.8905 41.8154 178.5582 114 E 4.1736 8.1257 117.4712 58.5730 30.1100 177.7988 115 E 4.3480 8.2316 117.8312 58.5380 29.8300 178.0898 116 A 4.2147 8.1721 121.3299 55.1191 18.4421 177.6715 117 P 4.2995 0.0000 0.0000 65.8369 31.1435 178.8718 118 K 4.0533 8.0368 116.1391 59.3257 32.0392 177.9038 119 F 4.5595 8.3363 114.9787 58.2644 39.4522 176.4549 120 L 4.9543 7.9576 119.9642 54.8787 42.6528 178.1716 121 A 4.1255 8.2171 121.1565 55.3262 18.2878 178.9627 122 F 4.3342 8.6069 118.4550 62.1944 39.3754 177.3857 123 T 4.0941 8.4948 114.6182 66.7778 68.2367 176.3377 124 C 4.4488 8.3886 118.8584 62.7604 27.9512 176.4158 125 G 4.0821 8.0562 107.1084 47.2271 0.0000 175.2582 126 L 4.2098 7.8511 123.2135 58.0860 42.0297 179.2327 127 L 4.0486 8.2610 118.7907 57.9266 41.6125 179.5371 128 R 4.1670 8.4984 119.0527 59.3948 30.1338 178.8234 129 G 3.0866 9.3491 106.5836 47.4966 0.0000 175.5472 130 A 4.1267 8.1922 123.4249 54.9557 18.3296 179.7190 131 L 3.9685 8.0985 117.5060 57.9074 41.6666 178.9450 132 Y 4.3045 8.0318 120.8309 60.6732 38.6934 178.4779 133 T 4.0245 7.9105 115.9990 66.2609 68.1893 175.3587 134 L 4.5273 7.1951 118.5597 54.1955 41.7545 177.4859 135 G 3.7382 8.0387 106.7383 45.6605 0.0000 173.5939 136 I 4.4257 7.8432 121.1013 59.2037 39.0217 174.5672 137 E 4.7300 8.5766 124.6137 55.3788 30.7173 175.3613 138 S 4.8508 8.2085 116.0129 57.6889 66.2957 173.7945 139 V 4.4049 8.5985 120.4252 61.1187 33.8120 174.1506 140 V 5.1472 8.6157 127.9452 61.3870 33.6120 174.4325 141 T 4.9690 8.8599 116.7408 59.9862 72.5614 172.3576 142 A 5.1315 8.3466 122.0098 50.5507 22.4142 175.2865 143 S 4.6443 8.5900 113.4461 56.7882 67.3277 172.7323 144 V 4.7312 8.2036 119.6007 60.3731 33.5960 172.7353 145 A 4.5320 8.7085 134.5622 51.9507 16.8290 180.4953 146 A 4.4053 8.8278 131.9036 52.5604 18.6816 177.4002 147 L 4.1591 8.4368 122.0739 55.7047 42.4881 175.4724 148 P 4.8577 0.0000 0.0000 63.0385 33.0540 175.1096 149 V 4.3204 8.0480 122.0677 63.9986 32.5213 174.4474 150 C 5.2042 9.2262 125.6472 57.7553 31.8665 173.0457 151 K 4.8793 8.5997 122.5874 54.6773 34.4798 175.0349 152 F 4.8667 9.4991 125.3879 56.0661 40.9920 174.7308 153 Q 4.8941 9.4381 126.6039 54.7807 30.5664 174.2582 154 V 4.5485 8.8981 128.3111 61.4928 33.5564 174.6175 155 V 4.6095 8.7608 128.6605 61.4143 33.5103 174.7323 156 I 4.7178 8.7730 131.4899 58.8850 37.2204 174.3692 157 P 4.2857 0.0000 0.0000 63.2734 31.4720 175.8674 158 K 4.1097 8.1637 120.5888 57.0990 35.9561 176.0754 *159 S 4.2715 8.6267 115.4004 58.7811 62.9091 169.9298 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 2 A 8.26 4.28 1.26 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 3 D 8.25 4.30 0.00 2.76 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 4 T 9.59 3.83 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 1.23 0.00 0.00 5 V 7.85 3.28 1.25 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 0.79 0.00 0.00 0.96 0.00 0.00 6 L 7.64 4.01 0.00 1.91 1.77 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.72 4.19 0.00 3.02 3.12 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 0.00 0.00 0.00 8 E 7.90 3.57 0.00 1.83 1.69 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 2.25 2.21 0.00 9 F 7.73 4.49 0.00 3.25 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 10 L 8.16 3.90 0.00 1.74 1.75 0.88 1.27 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 11 H 8.28 3.71 0.00 2.27 2.92 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.10 3.94 4.45 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 1.32 0.00 0.00 13 E 8.09 3.94 0.00 2.07 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 2.48 2.44 0.00 14 M 8.13 3.92 0.00 1.89 1.98 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 2.60 2.45 0.00 15 V 7.51 3.45 1.52 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 0.32 0.00 0.00 0.39 0.00 0.00 16 A 7.34 3.95 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 17 E 8.14 3.54 0.00 2.01 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 18 L 7.90 4.29 0.00 1.69 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.15 4.71 0.00 3.34 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 *31 K 8.58 4.30 0.00 1.86 1.94 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 32 M 7.79 4.24 0.00 2.07 2.08 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 2.67 2.62 0.00 33 S 7.93 4.25 0.00 3.91 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 0.00 34 L 7.90 4.04 0.00 1.87 1.77 0.96 0.86 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 35 S 8.00 4.15 0.00 3.98 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 36 V 7.73 3.61 2.35 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 1.13 0.00 0.00 1.06 0.00 0.00 37 L 8.19 4.15 0.00 2.00 1.91 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.86 4.28 0.00 2.18 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 0.00 2.50 2.51 0.00 39 G 8.38 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 0.00 0.00 0.00 40 M 8.54 4.32 0.00 2.38 2.59 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.67 0.00 41 G 8.11 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 0.00 0.00 0.00 42 F 8.12 4.32 0.00 3.20 3.27 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 43 R 7.81 3.75 0.00 1.89 1.94 0.00 3.23 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 44 V 7.75 3.68 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 1.10 0.00 0.00 1.19 0.00 0.00 45 G 8.21 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.96 4.22 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.22 1.55 0.00 47 A 7.48 3.97 1.26 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 48 L 8.14 4.11 0.00 1.77 1.64 0.74 0.83 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 49 G 8.26 3.71 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 0.00 0.00 0.00 50 E 7.82 3.93 0.00 2.17 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 0.00 2.31 2.35 0.00 51 R 7.67 4.36 0.00 1.91 1.92 0.00 3.16 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 52 L 7.16 4.48 0.00 1.98 1.72 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.84 0.00 2.35 2.30 0.00 3.76 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 2.28 2.03 0.00 54 R 8.08 3.66 0.00 1.83 1.92 0.00 3.08 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 55 E 8.43 3.88 0.00 2.04 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 2.38 2.34 0.00 56 T 7.45 3.84 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 1.26 0.00 0.00 57 L 7.80 4.13 0.00 1.57 1.49 0.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.64 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.36 4.15 0.00 3.24 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 60 R 7.49 4.66 0.00 1.87 1.84 0.00 3.35 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 61 E 8.49 4.29 0.00 2.06 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 2.43 2.32 0.00 62 E 8.90 3.84 0.00 2.09 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 0.00 2.44 2.49 0.00 63 L 8.16 4.04 0.00 1.79 1.81 1.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.33 4.44 0.00 2.83 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 65 V 7.54 3.53 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 0.95 0.00 0.00 0.84 0.00 0.00 66 L 7.68 3.94 0.00 1.28 1.31 0.26 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 K 7.90 4.03 0.00 2.05 1.88 0.00 1.85 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 68 F 8.29 4.23 0.00 3.27 3.29 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 69 L 8.03 4.08 0.00 1.93 1.75 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.19 4.04 0.00 3.09 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 71 K 8.21 4.43 0.00 1.84 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.43 7.81 72 D 7.52 4.13 0.00 1.68 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 0.00 0.00 0.00 73 L 7.62 3.89 0.00 1.79 1.97 0.87 1.12 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 74 W 8.25 4.17 0.00 3.71 3.33 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 75 V 8.21 3.80 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 0.77 0.00 0.00 1.02 0.00 0.00 76 A 7.34 3.89 1.24 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 0.00 0.00 0.00 77 V 7.41 3.29 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 -0.70 0.00 0.00 0.62 0.00 0.00 78 F 7.97 4.75 0.00 2.87 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 79 Q 8.44 3.81 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 80 K 7.40 4.55 0.00 2.10 1.83 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.29 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.72 7.81 81 Q 8.48 4.68 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 82 M 8.39 3.88 0.00 1.75 1.57 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.26 0.00 83 D 8.59 4.72 0.00 2.82 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 84 S 7.45 4.63 0.00 3.83 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 85 L 8.55 5.15 0.00 1.56 1.53 0.97 0.86 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 86 R 8.80 4.88 0.00 1.78 1.75 0.00 3.17 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 87 T 8.22 4.87 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 0.90 0.00 0.00 88 N 8.10 4.66 0.00 2.76 2.78 0.00 0.00 7.04 9.21 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 89 H 7.89 4.05 0.00 3.26 3.35 0.00 5.60 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.76 4.53 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 91 G 8.40 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 92 T 7.49 5.06 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 1.19 0.00 0.00 93 Y 9.46 5.13 0.00 2.82 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 94 V 8.82 4.75 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 0.98 0.00 0.00 0.94 0.00 0.00 95 L 9.30 4.96 0.00 1.49 1.32 0.69 0.69 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 96 Q 8.99 4.94 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 97 D 8.89 5.31 0.00 3.07 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 98 N 10.39 4.49 0.00 2.79 2.90 0.00 0.00 6.75 7.45 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 99 S 8.30 4.65 0.00 3.82 3.77 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 0.00 100 F 8.85 4.50 0.00 3.25 3.03 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 0.00 101 P 0.00 4.04 0.00 1.79 1.95 0.00 2.37 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 1.78 1.97 0.00 102 L 6.22 4.06 0.00 1.52 1.73 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 7.63 4.14 0.00 1.80 1.60 1.02 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.27 3.20 0.00 1.87 2.03 0.76 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 *109 G 7.33 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 0.00 110 L 8.42 4.08 0.00 1.67 1.73 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 7.93 3.92 0.00 1.86 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 112 Y 7.67 4.79 0.00 3.25 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 0.00 113 L 7.55 4.06 0.00 1.68 1.77 0.93 1.02 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 0.00 114 E 8.13 4.17 0.00 1.99 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 2.33 2.43 0.00 115 E 8.23 4.35 0.00 2.50 2.29 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 2.67 2.65 0.00 116 A 8.17 4.21 1.45 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 0.00 0.00 117 P 0.00 4.30 0.00 2.24 2.18 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 118 K 8.04 4.05 0.00 1.81 1.73 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.58 7.81 119 F 8.34 4.56 0.00 3.33 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 0.00 120 L 7.96 4.95 0.00 1.81 1.77 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.22 4.13 1.45 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 0.00 0.00 122 F 8.61 4.33 0.00 3.34 3.39 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 0.00 123 T 8.49 4.09 4.82 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 1.20 0.00 0.00 124 C 8.39 4.45 0.00 3.38 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 0.00 125 G 8.06 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 0.00 126 L 7.85 4.21 0.00 1.88 1.73 0.69 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.26 4.05 0.00 1.97 1.78 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.50 4.17 0.00 2.05 2.29 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 129 G 9.35 3.09 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 0.00 130 A 8.19 4.13 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 0.00 131 L 8.10 3.97 0.00 1.98 1.80 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.03 4.30 0.00 3.40 3.12 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 0.00 0.00 0.00 133 T 7.91 4.02 4.37 0.00 0.00 0.00 0.00 0.00 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 L 7.20 4.53 0.00 1.67 1.53 0.75 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.04 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 0.00 0.00 0.00 136 I 7.84 4.43 2.00 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 1.28 1.01 0.94 0.00 0.00 137 E 8.58 4.73 0.00 2.00 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 0.00 2.38 2.29 0.00 138 S 8.21 4.85 0.00 3.91 3.87 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 0.00 139 V 8.60 4.40 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 0.96 0.00 0.00 0.95 0.00 0.00 140 V 8.62 5.15 2.33 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 1.10 0.00 0.00 1.06 0.00 0.00 141 T 8.86 4.97 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 1.24 0.00 0.00 142 A 8.35 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 S 8.59 4.64 0.00 3.81 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 0.00 144 V 8.20 4.73 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 0.88 0.00 0.00 0.91 0.00 0.00 145 A 8.71 4.53 0.95 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 0.00 146 A 8.83 4.41 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 0.00 147 L 8.44 4.16 0.00 1.67 1.69 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.86 0.00 2.16 2.26 0.00 3.72 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 2.23 1.97 0.00 149 V 8.05 4.32 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 0.92 0.00 0.00 0.99 0.00 0.00 150 C 9.23 5.20 0.00 2.69 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 0.00 0.00 0.00 0.00 151 K 8.60 4.88 0.00 1.54 1.62 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.30 7.81 152 F 9.50 4.87 0.00 2.92 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 0.00 153 Q 9.44 4.89 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 154 V 8.90 4.55 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 0.76 0.00 0.00 1.00 0.00 0.00 155 V 8.76 4.61 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 0.95 0.00 0.00 0.97 0.00 0.00 156 I 8.77 4.72 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 1.09 0.00 0.00 157 P 0.00 4.29 0.00 2.19 2.09 0.00 4.04 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 2.03 2.04 0.00 158 K 8.16 4.11 0.00 1.73 1.75 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.37 7.81 *159 S 8.63 4.27 0.00 3.60 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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.