NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4351 8.2929 115.4178 58.1089 64.4165 172.9897 3 S 4.8475 8.5169 118.9912 54.6355 65.1812 171.2475 4 S 4.6333 8.9413 118.0663 57.1555 65.0221 173.7741 5 G 4.1104 8.5805 108.4843 45.1900 0.0000 173.8859 6 T 4.4548 7.9671 115.1613 63.5130 70.0121 175.2091 7 S 5.2222 8.4804 117.9459 56.9830 67.0761 175.4599 8 I 5.1636 9.2134 122.6358 59.7737 41.0364 174.7643 9 T 5.3989 8.6002 120.4739 62.3781 72.5942 172.8233 10 C 4.7792 9.0018 118.7616 57.2610 33.8580 172.1423 11 E 5.0128 8.5423 118.1280 54.5459 31.8069 176.0024 12 V 4.3628 8.5631 122.8341 60.8206 35.3331 174.6580 13 G 4.0389 8.8117 117.1950 46.8891 0.0000 173.1980 14 L 5.2218 9.0515 125.5025 53.3032 46.4023 172.6854 15 Q 4.9768 9.0231 118.1676 55.7887 32.8716 175.6387 16 L 4.8928 8.9292 128.3097 54.3185 42.3264 174.8157 17 I 4.1979 8.4153 126.5165 57.9837 36.0272 170.7583 *23 P 4.2640 0.0000 0.0000 61.2521 32.5932 176.1021 24 V 4.4933 7.8912 121.9140 60.3284 33.7003 173.0769 25 P 4.9779 0.0000 0.0000 63.7419 32.3345 176.1527 26 L 4.7297 8.8784 122.3891 53.9668 45.8869 173.8790 27 V 4.7198 8.3547 119.7850 60.2063 33.3329 174.8181 28 A 4.5580 8.6840 126.3294 49.9218 22.0339 175.1523 29 R 4.5853 8.2004 122.3628 54.7987 31.7288 174.8990 30 L 4.9750 8.2816 127.7099 53.4513 43.5514 175.6647 31 D 5.4478 9.2381 121.9176 52.2501 43.3563 173.4676 32 Y 5.0009 9.4496 121.1413 56.0114 42.5769 173.8687 33 S 4.5763 7.5494 119.4955 56.2715 65.3133 175.1331 34 V 3.1807 8.3538 120.8323 64.1052 31.3900 177.1761 35 D 4.5199 7.8091 117.2859 54.8970 40.2419 175.7894 36 D 4.7679 7.9594 120.0534 52.0567 40.8767 173.9921 37 P 4.1862 0.0000 0.0000 64.4377 32.1578 177.4911 38 Y 4.6592 7.9485 115.4672 58.4937 39.1103 174.8729 39 A 5.3840 8.0368 120.9888 50.3048 21.8609 176.3047 40 I 4.8126 8.6920 120.0582 59.6216 41.3065 174.7393 41 R 4.9879 8.9225 125.5085 54.3927 32.5435 175.0826 42 A 4.9855 8.8788 124.6001 49.8635 22.5885 174.7762 43 A 4.8981 8.3677 122.9930 50.2318 21.6802 176.0560 44 F 4.7332 8.9025 121.5685 57.2715 41.4081 174.8610 45 H 5.0232 8.7194 118.0243 55.6044 32.6981 174.4315 46 V 4.3244 8.0950 114.1287 61.3462 36.1424 174.8587 *51 P 4.4022 0.0000 0.0000 62.1809 32.4562 175.9805 52 V 4.5982 8.0377 119.5024 60.0631 34.8396 173.6177 53 E 5.1317 9.0805 124.8970 54.4194 31.3185 174.6504 54 W 5.1856 9.3910 127.1728 55.1098 32.1120 174.8312 55 I 4.9218 8.4899 123.2714 59.2142 40.0172 174.1356 56 F 5.2623 8.3886 123.0290 54.6567 42.5039 173.9058 57 A 4.5842 8.9280 122.2821 52.5211 19.0388 178.3694 58 R 4.1315 9.7135 124.5600 59.7651 30.1798 178.7027 59 E 4.2133 8.4562 116.5447 59.2486 29.4773 178.7252 60 L 4.0391 7.9230 121.3702 57.8584 41.9969 178.6015 61 L 4.0111 7.9911 120.0144 58.2372 42.5228 178.7572 62 T 3.9726 7.9577 115.3995 66.6954 68.3919 176.8273 63 V 3.6467 8.1304 120.2925 65.9028 31.4040 178.3477 64 G 4.0459 8.1145 104.3845 48.6389 0.0000 175.3970 65 I 3.9043 7.5144 121.1281 63.8120 37.1115 177.7377 66 I 4.2078 6.9231 118.7110 62.2380 37.9415 175.9767 67 R 4.6401 7.8939 114.0878 54.3133 32.3163 173.5405 68 E 4.4860 8.6927 120.4022 57.5869 30.2604 175.6923 69 T 4.5615 8.6514 120.3940 61.7354 71.6933 171.6090 70 G 4.2835 8.2152 108.6282 46.3464 0.0000 173.1611 71 E 4.5736 8.4301 121.1174 55.4451 33.2677 176.2564 72 G 3.8915 8.7358 120.3246 47.7702 0.0000 175.9572 73 D 4.5143 8.8185 126.7773 54.4071 40.7439 177.2536 74 V 4.2242 7.3958 118.2093 63.3602 32.9771 175.4924 75 R 5.1587 8.5541 123.9505 54.8206 34.4881 174.0608 76 I 5.3116 8.9170 124.4844 59.3834 40.9262 174.5812 77 W 5.5148 8.7152 122.2896 54.7170 31.6765 172.4126 78 P 4.8914 0.0000 0.0000 63.4707 32.4614 175.3805 79 S 4.6531 8.3438 117.2350 58.1760 65.9589 174.1383 80 Q 5.0592 8.4397 117.1315 54.5573 30.7972 175.2702 81 D 4.9730 8.9638 118.7951 54.1973 42.1428 176.3423 82 G 4.1462 8.6585 113.5124 46.2780 0.0000 175.1556 *84 E 4.0716 7.8173 115.0420 55.2789 31.3681 177.4015 85 R 4.5100 8.1006 122.2208 54.4142 31.8338 175.3343 *87 V 3.9606 7.8863 118.0857 62.9214 33.1299 173.5597 88 N 5.1180 8.4858 124.6005 51.2328 41.2306 173.4239 89 I 4.8340 8.2142 123.8772 59.5905 41.0387 175.0608 90 A 4.8808 9.3629 130.6709 51.3867 21.1857 174.6679 91 L 4.0781 8.4193 122.6433 54.8051 41.6567 176.6550 92 S 4.2795 8.1921 123.8619 56.2912 60.8076 173.9554 *99 R 4.3067 7.7438 119.5474 56.4131 31.6234 174.1171 *100 F 5.2091 9.4445 125.9512 56.0181 41.7851 174.7537 101 H 5.2094 9.0828 120.7904 54.5707 32.6302 172.0195 102 A 4.9729 8.6357 128.7769 50.8320 22.5079 176.3880 103 Q 4.2170 8.4765 117.8255 54.7593 29.3033 178.6243 104 V 3.7696 8.4660 120.5110 65.5580 31.5090 178.2432 105 A 3.9675 8.0825 120.2377 55.1338 18.0872 177.7759 106 P 4.2026 0.0000 0.0000 65.6338 31.4247 178.9064 107 L 4.0641 7.8639 117.3820 57.7944 41.5262 179.3079 108 S 4.1256 8.6466 113.4023 61.4054 62.3821 175.7976 109 E 3.9353 8.4032 122.0690 59.2037 29.3923 178.4715 110 F 4.1143 8.3958 120.6322 61.4124 39.4000 177.0510 111 L 3.5638 8.3346 118.9066 57.8458 41.3639 178.9790 112 H 4.1886 8.5547 118.5171 59.3528 29.9348 177.4477 113 R 3.7963 7.9006 120.0272 59.4395 29.7942 179.1241 114 T 3.2066 7.1360 109.3959 64.8087 67.9947 176.1702 115 Y 4.4905 7.5433 120.7946 60.0146 37.5373 178.2222 116 E 3.9678 7.7009 119.3050 59.0766 29.5755 179.0168 117 L 4.3912 7.4763 117.9371 56.2697 42.2619 177.6400 118 V 4.2208 7.9139 121.3432 59.9328 32.7294 172.6987 119 P 4.6229 0.0000 0.0000 61.2164 31.9626 176.2129 120 A 4.2948 8.3965 124.1256 54.2420 18.4806 178.2448 121 G 4.0715 9.7256 112.1456 45.3888 0.0000 174.0086 122 Q 4.6921 8.0610 117.7872 55.6572 29.5483 177.3676 123 E 4.0442 8.1885 120.9423 59.4253 29.1659 178.9380 124 S 4.2232 8.3064 114.9735 62.1248 62.9571 176.4164 125 D 4.3079 7.8323 120.1971 57.5342 40.4720 178.4058 126 Y 4.0558 8.0551 117.1023 60.5258 37.8875 178.1321 127 I 3.7835 7.7130 120.5812 64.4099 37.2472 177.7259 128 D 4.3907 8.4790 120.1613 57.6409 40.6278 179.1502 129 I 3.6959 7.6387 119.7913 64.4750 37.0836 178.1348 130 D 4.3623 8.2042 119.5369 57.4342 40.6634 178.8736 131 A 4.0374 8.2634 121.2548 55.1605 18.1568 179.5586 132 E 4.2256 8.1830 117.9521 58.9475 29.8093 179.3447 133 I 3.8633 8.0332 119.7416 64.3927 37.0128 178.2733 134 A 3.9895 7.5703 119.5773 55.2889 18.3002 179.2110 135 E 4.1689 8.2839 116.6359 58.1135 30.0189 176.3472 136 H 5.0181 7.9568 115.1859 53.4468 29.4952 173.5481 137 L 4.3617 8.0015 122.3593 54.7269 42.5558 176.6515 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 S 8.29 4.44 0.00 4.03 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 3 S 8.52 4.85 0.00 3.69 3.63 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 4 S 8.94 4.63 0.00 3.98 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 0.00 5 G 8.58 4.11 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 0.00 6 T 7.97 4.45 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 1.20 0.00 0.00 7 S 8.48 5.22 0.00 3.40 3.63 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 8 I 9.21 5.16 1.96 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.68 1.04 0.00 0.00 9 T 8.60 5.40 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 1.18 0.00 0.00 10 C 9.00 4.78 0.00 2.91 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 11 E 8.54 5.01 0.00 1.76 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 0.00 2.10 2.18 0.00 12 V 8.56 4.36 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 0.96 0.00 0.00 0.80 0.00 0.00 13 G 8.81 4.04 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 0.00 14 L 9.05 5.22 0.00 1.27 1.47 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 9.02 4.98 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 16 L 8.93 4.89 0.00 1.33 1.57 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.42 4.20 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 1.23 1.13 0.91 0.00 0.00 *23 P 0.00 4.26 0.00 2.06 2.14 0.00 3.59 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 24 V 7.89 4.49 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 1.08 0.00 0.00 0.94 0.00 0.00 25 P 0.00 4.98 0.00 2.11 2.03 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 26 L 8.88 4.73 0.00 1.31 1.50 0.92 0.72 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 27 V 8.35 4.72 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 0.78 0.00 0.00 0.88 0.00 0.00 28 A 8.68 4.56 0.66 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.20 4.59 0.00 1.80 1.68 0.00 3.03 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 30 L 8.28 4.97 0.00 0.49 0.72 0.49 0.64 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 31 D 9.24 5.45 0.00 2.82 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 32 Y 9.45 5.00 0.00 3.03 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 0.00 33 S 7.55 4.58 0.00 3.75 3.44 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 0.00 34 V 8.35 3.18 1.46 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 0.60 0.00 0.00 0.96 0.00 0.00 35 D 7.81 4.52 0.00 2.75 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 36 D 7.96 4.77 0.00 2.62 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 1.89 2.02 0.00 3.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.00 0.00 38 Y 7.95 4.66 0.00 3.02 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 39 A 8.04 5.38 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.69 4.81 1.75 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.52 0.93 0.00 0.00 41 R 8.92 4.99 0.00 1.98 1.75 0.00 3.21 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 42 A 8.88 4.99 0.92 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 43 A 8.37 4.90 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 0.00 0.00 0.00 0.00 0.00 44 F 8.90 4.73 0.00 2.83 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 45 H 8.72 5.02 0.00 3.04 3.17 0.00 5.86 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.09 4.32 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 0.77 0.00 0.00 0.93 0.00 0.00 *51 P 0.00 4.40 0.00 2.01 1.80 0.00 3.85 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 1.91 1.95 0.00 52 V 8.04 4.60 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 0.78 0.00 0.00 1.21 0.00 0.00 53 E 9.08 5.13 0.00 2.02 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 2.24 2.39 0.00 54 W 9.39 5.19 0.00 3.46 3.28 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 55 I 8.49 4.92 1.88 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 0.90 0.96 0.00 0.00 56 F 8.39 5.26 0.00 3.19 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 57 A 8.93 4.58 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.71 4.13 0.00 1.97 2.21 0.00 2.21 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 59 E 8.46 4.21 0.00 2.40 2.38 0.00 0.00 0.00 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 2.56 0.00 60 L 7.92 4.04 0.00 1.91 1.85 0.96 0.23 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 61 L 7.99 4.01 0.00 1.97 1.92 0.91 1.07 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 62 T 7.96 3.97 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 1.29 0.00 0.00 63 V 8.13 3.65 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 1.06 0.00 0.00 1.10 0.00 0.00 64 G 8.11 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 65 I 7.51 3.90 2.05 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 1.53 0.73 0.93 0.00 0.00 66 I 6.92 4.21 2.00 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 1.76 0.80 0.93 0.00 0.00 67 R 7.89 4.64 0.00 1.95 2.01 0.00 2.81 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 68 E 8.69 4.49 0.00 2.09 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 2.35 2.18 0.00 69 T 8.65 4.56 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 1.33 0.00 0.00 70 G 8.22 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 71 E 8.43 4.57 0.00 2.01 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 2.22 2.26 0.00 72 G 8.74 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 73 D 8.82 4.51 0.00 2.61 2.68 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 74 V 7.40 4.22 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 0.75 0.00 0.00 0.89 0.00 0.00 75 R 8.55 5.16 0.00 2.10 1.93 0.00 3.21 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 76 I 8.92 5.31 1.90 0.00 0.00 0.60 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 0.73 0.90 0.00 0.00 77 W 8.72 5.51 0.00 3.37 3.21 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 78 P 0.00 4.89 0.00 2.13 2.33 0.00 4.02 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 79 S 8.34 4.65 0.00 3.61 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 80 Q 8.44 5.06 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.50 0.00 0.00 0.00 0.00 0.00 2.17 1.90 0.00 81 D 8.96 4.97 0.00 2.71 2.65 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 0.00 0.00 0.00 0.00 82 G 8.66 4.15 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 0.00 *84 E 7.82 4.07 0.00 1.93 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 2.21 1.91 0.00 85 R 8.10 4.51 0.00 1.82 1.86 0.00 3.29 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.55 0.00 *87 V 7.89 3.96 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 0.87 0.00 0.00 0.89 0.00 0.00 88 N 8.49 5.12 0.00 1.44 1.42 0.00 0.00 6.56 6.80 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 89 I 8.21 4.83 2.00 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 1.07 0.94 1.13 0.00 0.00 90 A 9.36 4.88 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 0.00 0.00 0.00 0.00 0.00 91 L 8.42 4.08 0.00 1.45 1.48 0.92 0.90 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 92 S 8.19 4.28 0.00 3.72 3.83 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 *99 R 7.74 4.31 0.00 1.98 2.14 0.00 3.42 0.00 0.00 3.48 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.79 0.00 *100 F 9.44 5.21 0.00 2.39 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 0.00 0.00 0.00 0.00 101 H 9.08 5.21 0.00 3.14 3.09 0.00 5.75 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 0.00 102 A 8.64 4.97 1.17 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 0.00 103 Q 8.48 4.22 0.00 2.09 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 104 V 8.47 3.77 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 0.80 0.00 0.00 0.93 0.00 0.00 105 A 8.08 3.97 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 0.00 106 P 0.00 4.20 0.00 2.14 2.09 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 107 L 7.86 4.06 0.00 1.84 1.79 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.65 4.13 0.00 3.95 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 0.00 109 E 8.40 3.94 0.00 2.21 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 2.33 2.40 0.00 110 F 8.40 4.11 0.00 3.15 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 0.00 111 L 8.33 3.56 0.00 1.91 1.72 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.55 4.19 0.00 3.25 3.47 0.00 5.79 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 0.00 113 R 7.90 3.80 0.00 1.80 1.78 0.00 3.30 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 1.63 1.76 0.00 114 T 7.14 3.21 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 0.11 0.00 0.00 115 Y 7.54 4.49 0.00 3.00 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 0.00 116 E 7.70 3.97 0.00 2.02 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 2.24 2.27 0.00 117 L 7.48 4.39 0.00 1.74 1.67 0.95 0.63 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 0.00 118 V 7.91 4.22 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 0.91 0.00 0.00 0.30 0.00 0.00 119 P 0.00 4.62 0.00 2.25 1.97 0.00 4.02 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 120 A 8.40 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 121 G 9.73 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 0.00 122 Q 8.06 4.69 0.00 2.34 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 123 E 8.19 4.04 0.00 1.61 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 1.60 2.20 0.00 124 S 8.31 4.22 0.00 3.90 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 0.00 125 D 7.83 4.31 0.00 2.27 2.42 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 0.00 126 Y 8.06 4.06 0.00 3.11 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 0.00 127 I 7.71 3.78 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.11 0.99 0.00 0.00 128 D 8.48 4.39 0.00 2.80 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 0.00 129 I 7.64 3.70 1.99 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 1.47 0.49 0.92 0.00 0.00 130 D 8.20 4.36 0.00 3.00 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 0.00 131 A 8.26 4.04 1.37 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 0.00 0.00 0.00 132 E 8.18 4.23 0.00 2.09 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 0.00 2.36 2.32 0.00 133 I 8.03 3.86 2.04 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 1.47 0.92 0.92 0.00 0.00 134 A 7.57 3.99 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 0.00 135 E 8.28 4.17 0.00 2.12 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 2.30 2.35 0.00 136 H 7.96 5.02 0.00 3.09 3.22 0.00 5.79 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 0.00 137 L 8.00 4.36 0.00 1.57 1.49 0.93 0.92 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 * Residues marked with a * may have inaccurate shift predictions.