NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3235 8.1749 110.9391 61.1127 70.9496 174.0208 5 L 4.0716 7.7743 122.6496 54.2296 42.4382 174.3652 6 R 4.6752 8.6199 120.9184 54.8631 36.4428 173.6140 7 V 4.5297 7.9430 119.6027 59.8791 33.6800 175.1844 8 V 4.2846 9.0069 125.4107 60.2404 33.4913 172.9305 9 P 4.5093 0.0000 0.0000 62.4136 32.4215 175.5786 10 E 4.3503 8.7621 124.7508 54.3975 31.9065 174.3093 11 L 5.0308 7.9320 126.8812 53.1232 44.2007 175.3165 12 Y 4.4631 8.6986 122.4224 57.6683 38.9792 174.8400 13 C 4.6872 8.7708 120.8925 57.9747 31.3658 175.4495 14 F 4.0796 8.8961 121.9117 60.0568 38.9541 175.7843 15 D 4.7535 7.8632 121.8211 51.3697 42.3603 175.0561 16 I 3.6174 8.2800 126.6961 64.3302 38.0135 176.9358 17 N 4.5015 8.1198 116.5334 56.1028 38.5276 177.5066 18 V 3.6552 7.8386 119.9102 66.0915 31.6406 178.3942 19 S 4.2519 8.2813 115.0242 61.5611 62.6143 176.4049 20 Q 3.9503 8.5989 122.7141 59.3607 28.8231 178.4977 21 S 4.1520 8.2403 116.2041 61.3791 62.8038 176.4255 22 F 3.9431 8.2355 123.0184 61.4044 39.2140 177.1788 23 F 3.6326 8.3827 117.3687 60.3146 38.5150 177.8826 24 V 4.0173 8.1184 119.3789 65.5107 31.2981 177.9541 25 D 4.2939 8.1911 117.6126 57.2115 40.8298 178.2183 26 V 3.5320 7.2426 117.0770 65.5974 31.6563 176.9245 27 L 4.0795 7.4929 116.8910 54.9490 41.8367 177.8579 28 G 3.9130 7.8770 106.6612 45.9762 0.0000 173.8546 29 F 4.4756 8.9273 118.6510 57.1329 40.5163 173.8731 30 E 4.7506 8.9887 121.9283 54.3524 32.3182 175.0370 31 V 4.0348 8.3764 126.5002 62.9512 31.6975 175.6366 32 K 4.4907 9.0609 128.5514 58.9932 33.2201 176.1478 33 Y 4.7848 7.3347 115.3383 56.9600 40.9773 172.4257 34 E 5.0360 8.8486 118.2892 55.7927 34.4581 176.5988 35 R 4.6579 8.9706 118.4446 53.0910 31.3333 174.2656 36 P 4.2705 0.0000 0.0000 65.7396 31.5814 177.3764 37 D 4.4139 8.2090 115.1890 55.5658 39.3251 177.0854 38 E 4.4826 8.1341 117.8073 54.8859 30.5411 175.2221 39 E 3.7981 8.3435 118.6331 57.3894 28.0163 173.3382 40 F 4.9917 8.0488 119.4538 56.6519 41.9716 174.4352 41 V 4.3018 7.4967 125.1702 61.2456 34.4716 173.4600 42 Y 3.9322 8.1527 129.3622 55.8049 40.3254 174.3937 43 L 5.3223 8.0972 126.1613 53.4501 46.0068 175.1823 44 T 4.9926 8.5816 113.4101 60.9817 71.7303 172.5000 45 L 4.2608 8.3462 128.4712 53.0391 44.1851 175.6980 46 D 4.5195 9.6829 126.9883 55.2996 38.3488 175.3594 47 G 3.9387 7.9963 108.2965 45.0516 0.0000 174.5327 48 V 4.0644 7.5673 120.1820 61.5264 32.2042 174.6232 49 D 5.2904 8.4128 127.0839 53.2019 43.1193 176.4782 50 V 3.9743 7.5583 119.3577 60.8780 34.8059 172.7263 *52 L 4.1060 8.4599 118.2443 55.0086 43.4324 175.6803 53 E 4.7373 8.6475 123.9347 54.1048 32.3740 175.2398 54 G 4.1864 8.9059 114.8522 45.7201 0.0000 174.5115 55 I 4.2680 8.2438 120.9060 61.3343 38.1339 179.4709 *67 L 4.1700 8.9033 127.3366 55.3346 41.6098 174.4603 68 E 4.7431 7.9376 119.5283 53.6032 33.3334 175.7756 69 F 3.9637 8.8621 125.3727 57.6097 40.0762 172.6222 70 P 3.1645 0.0000 0.0000 61.1018 32.3808 175.7424 71 L 4.0276 7.3431 121.3398 55.2648 42.6004 176.9696 72 G 4.0755 8.7641 106.7063 46.1576 0.0000 173.5842 73 S 4.1566 7.9005 113.4197 59.8199 63.0629 174.8942 74 G 3.8797 8.9248 111.7423 44.9088 0.0000 172.4257 75 V 4.5370 7.2943 119.4403 61.0118 33.5112 174.6580 76 N 4.6881 8.4530 125.3080 51.7463 42.0802 173.4199 77 F 4.6306 8.3489 126.7667 56.6483 39.7046 175.0584 78 Q 4.6423 8.8484 127.1598 55.5579 29.8280 174.5321 79 W 4.9535 9.2921 135.0000 55.4012 32.7657 174.6516 80 D 5.1295 8.8217 128.5927 54.7693 40.7182 176.4449 81 V 4.9302 8.9105 116.0120 59.8527 35.3707 175.6216 82 I 4.3420 8.6614 114.1538 61.3006 39.2221 175.7714 83 D 4.8606 7.6199 120.2271 50.5224 39.1985 175.4081 84 I 3.8477 9.1478 126.5169 64.9399 38.4492 176.6337 85 E 3.9726 8.1504 119.5001 58.9705 29.6650 176.7429 86 P 4.2555 0.0000 0.0000 65.4550 31.3835 178.3593 87 L 3.9251 8.0893 119.1920 58.2784 42.0517 178.3332 88 Y 3.4305 8.0922 119.4962 60.7325 38.6563 178.2137 89 Q 3.8212 8.2986 118.9789 58.6109 28.8091 178.6166 90 R 3.8262 7.9884 120.1064 59.3531 30.1074 178.8080 91 V 3.5817 7.8257 118.1531 65.9857 31.2969 177.8252 92 N 4.2516 7.6743 115.4157 56.1403 38.3492 176.9224 93 E 4.0979 8.0401 119.4621 58.2066 29.6441 178.2783 94 S 4.6253 7.6287 112.0786 58.8600 65.9427 174.9985 95 A 4.6249 8.2836 123.5411 50.8124 20.6301 176.2734 96 A 3.9147 7.9696 127.1799 54.7640 19.0702 179.7747 97 D 4.5979 8.0113 113.1540 56.2928 41.1092 177.0823 98 S 4.5557 8.3027 115.5496 58.9454 63.4424 173.8899 99 I 4.4170 7.7007 122.9884 61.3366 37.2172 175.0802 100 Y 4.4238 9.0136 126.6721 58.7879 39.4584 175.3699 101 L 4.6373 7.9260 119.6316 52.6775 44.9255 175.5336 102 A 4.4706 8.6085 127.4647 51.5193 19.3560 176.6538 103 L 4.2082 7.9635 121.9369 55.6757 42.6083 176.0784 104 E 4.7220 9.1661 122.4198 55.2034 33.8153 174.2505 105 S 4.9086 8.5947 116.6612 56.9372 64.5822 173.4130 106 K 4.3821 8.7782 127.6836 54.9690 33.3978 175.5231 107 S 5.2882 8.3503 122.2840 57.1822 66.6013 173.5782 108 Y 4.6089 8.8403 115.9934 57.8158 40.2779 175.2564 *114 I 4.3981 7.5580 119.5801 61.0473 38.7079 174.6052 115 A 4.7540 8.6666 127.4062 50.7862 21.1467 176.1365 116 T 5.0314 8.4635 118.1232 61.7410 73.1367 173.0574 117 Q 4.5298 9.0546 125.2618 54.4793 32.3947 174.2247 118 K 4.9590 8.8824 127.1276 56.4585 33.7754 176.1880 119 Q 5.6096 9.1913 119.7083 57.0398 32.2501 172.8398 120 F 4.8046 8.0153 114.7575 56.3480 41.7881 172.7255 *122 V 4.5620 8.3895 116.5419 63.3062 33.1486 175.0128 123 Q 5.2609 9.0103 128.3664 54.5054 30.7860 175.6579 124 T 4.4175 9.0364 117.2074 60.2168 70.0192 173.8137 125 P 4.3571 0.0000 0.0000 65.5065 31.5431 177.5884 126 D 4.5797 7.9322 116.6501 54.4931 41.1256 177.7588 127 G 3.5611 8.0316 106.2917 45.2231 0.0000 174.1224 128 Y 4.3258 7.6767 118.2069 58.1878 38.7480 174.4987 129 L 5.2126 8.5526 123.4138 53.1349 44.1849 175.1575 130 F 4.9156 9.2602 123.0140 55.5612 41.6614 175.3545 131 R 4.4537 8.8246 124.7491 54.4502 31.3563 174.1257 132 F 5.0741 8.2062 125.8949 57.3855 40.0979 174.6939 133 C 5.5563 9.4427 120.7415 58.4202 32.9650 172.9888 134 Q 4.7770 8.6752 120.7828 55.3652 32.7029 174.2572 135 D 4.9637 8.7265 124.6051 54.0185 41.0637 176.1833 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 4 T 8.17 4.32 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 1.22 0.00 0.00 5 L 7.77 4.07 0.00 1.72 1.62 0.98 0.59 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 6 R 8.62 4.68 0.00 1.65 1.68 0.00 3.18 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 7 V 7.94 4.53 1.09 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 0.44 0.00 0.00 1.11 0.00 0.00 8 V 9.01 4.28 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 0.88 0.00 0.00 0.99 0.00 0.00 9 P 0.00 4.51 0.00 1.87 1.81 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 10 E 8.76 4.35 0.00 1.93 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 1.84 1.92 0.00 11 L 7.93 5.03 0.00 1.36 1.39 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.70 4.46 0.00 2.78 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 13 C 8.77 4.69 0.00 2.73 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 14 F 8.90 4.08 0.00 3.06 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 15 D 7.86 4.75 0.00 2.72 2.56 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 16 I 8.28 3.62 1.85 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 1.67 0.83 0.97 0.00 0.00 17 N 8.12 4.50 0.00 2.79 2.86 0.00 0.00 6.77 7.68 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 18 V 7.84 3.66 2.28 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 1.05 0.00 0.00 1.06 0.00 0.00 19 S 8.28 4.25 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 20 Q 8.60 3.95 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 21 S 8.24 4.15 0.00 4.12 4.06 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 22 F 8.24 3.94 0.00 3.28 3.17 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 23 F 8.38 3.63 0.00 3.18 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 24 V 8.12 4.02 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 1.35 0.00 0.00 1.02 0.00 0.00 25 D 8.19 4.29 0.00 2.73 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 26 V 7.24 3.53 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 0.00 0.00 0.22 0.00 0.00 0.62 0.00 0.00 27 L 7.49 4.08 0.00 1.86 1.92 0.27 0.67 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 28 G 7.88 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 29 F 8.93 4.48 0.00 3.00 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 30 E 8.99 4.75 0.00 2.02 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 2.23 2.24 0.00 31 V 8.38 4.03 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 0.87 0.00 0.00 0.92 0.00 0.00 32 K 9.06 4.49 0.00 1.83 2.05 0.00 1.96 0.00 0.00 2.16 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 Y 7.33 4.78 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 5.04 0.00 1.90 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 0.00 2.17 2.37 0.00 35 R 8.97 4.66 0.00 1.85 1.81 0.00 3.04 0.00 0.00 2.96 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 36 P 0.00 4.27 0.00 2.18 2.16 0.00 3.64 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 2.41 0.00 37 D 8.21 4.41 0.00 2.85 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 38 E 8.13 4.48 0.00 2.17 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 0.00 2.28 2.34 0.00 39 E 8.34 3.80 0.00 2.19 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 2.25 2.26 0.00 40 F 8.05 4.99 0.00 3.26 2.86 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 41 V 7.50 4.30 1.70 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 0.64 0.00 0.00 0.81 0.00 0.00 42 Y 8.15 3.93 0.00 2.28 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 0.00 0.00 0.00 43 L 8.10 5.32 0.00 1.43 1.64 0.46 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.58 4.99 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 1.27 0.00 0.00 45 L 8.35 4.26 0.00 0.27 0.82 0.52 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.68 4.52 0.00 2.75 2.66 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 47 G 8.00 3.94 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 0.00 48 V 7.57 4.06 2.00 0.00 0.00 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 0.89 0.00 0.00 49 D 8.41 5.29 0.00 2.65 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 50 V 7.56 3.97 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 0.58 0.00 0.00 0.71 0.00 0.00 *52 L 8.46 4.11 0.00 1.22 1.33 0.43 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.65 4.74 0.00 1.75 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 1.93 2.22 0.00 54 G 8.91 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 0.00 0.00 0.00 0.00 55 I 8.24 4.27 1.90 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 1.25 0.82 0.91 0.00 0.00 *67 L 8.90 4.17 0.00 1.68 1.71 0.96 0.82 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 68 E 7.94 4.74 0.00 1.91 1.84 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 2.22 2.27 0.00 69 F 8.86 3.96 0.00 2.99 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 70 P 0.00 3.16 0.00 1.60 0.94 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 71 L 7.34 4.03 0.00 0.69 1.43 0.92 0.98 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 72 G 8.76 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 73 S 7.90 4.16 0.00 3.91 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 74 G 8.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.29 4.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.78 0.00 0.00 76 N 8.45 4.69 0.00 2.85 2.57 0.00 0.00 7.00 6.99 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 77 F 8.35 4.63 0.00 2.25 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 78 Q 8.85 4.64 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 79 W 9.29 4.95 0.00 3.54 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 80 D 8.82 5.13 0.00 2.74 2.66 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 81 V 8.91 4.93 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 1.09 0.00 0.00 1.19 0.00 0.00 82 I 8.66 4.34 1.92 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 1.53 0.65 0.97 0.00 0.00 83 D 7.62 4.86 0.00 2.82 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 84 I 9.15 3.85 2.10 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.42 0.99 0.00 0.00 85 E 8.15 3.97 0.00 2.16 1.96 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 2.41 2.50 0.00 86 P 0.00 4.26 0.00 2.41 2.10 0.00 3.77 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 2.14 2.17 0.00 87 L 8.09 3.93 0.00 1.83 2.02 0.72 0.12 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 88 Y 8.09 3.43 0.00 2.83 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 Q 8.30 3.82 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.64 0.00 90 R 7.99 3.83 0.00 1.92 2.04 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 91 V 7.83 3.58 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 1.04 0.00 0.00 1.10 0.00 0.00 92 N 7.67 4.25 0.00 2.52 2.64 0.00 0.00 7.10 7.16 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 93 E 8.04 4.10 0.00 2.12 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 2.29 2.26 0.00 94 S 7.63 4.63 0.00 3.99 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 95 A 8.28 4.62 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 96 A 7.97 3.91 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 97 D 8.01 4.60 0.00 2.70 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 98 S 8.30 4.56 0.00 4.10 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 99 I 7.70 4.42 2.07 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 1.18 0.00 0.00 100 Y 9.01 4.42 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 0.00 101 L 7.93 4.64 0.00 1.68 1.68 0.95 1.14 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 0.00 102 A 8.61 4.47 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 0.00 103 L 7.96 4.21 0.00 0.27 0.76 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.17 4.72 0.00 2.02 1.96 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 2.38 2.30 0.00 105 S 8.59 4.91 0.00 3.72 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 0.00 106 K 8.78 4.38 0.00 1.79 1.63 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.05 1.19 7.81 107 S 8.35 5.29 0.00 3.63 3.72 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 0.00 108 Y 8.84 4.61 0.00 2.94 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 *114 I 7.56 4.40 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 1.27 0.36 0.97 0.00 0.00 115 A 8.67 4.75 1.27 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 0.00 0.00 116 T 8.46 5.03 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 0.00 117 Q 9.05 4.53 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 118 K 8.88 4.96 0.00 1.84 1.74 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.41 7.81 119 Q 9.19 5.61 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.39 0.00 0.00 0.00 0.00 0.00 2.25 2.17 0.00 120 F 8.02 4.80 0.00 3.45 2.98 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 *122 V 8.39 4.56 2.37 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 1.21 0.00 0.00 1.43 0.00 0.00 123 Q 9.01 5.26 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 124 T 9.04 4.42 4.34 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 1.37 0.00 0.00 125 P 0.00 4.36 0.00 2.13 2.22 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 126 D 7.93 4.58 0.00 2.72 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 0.00 127 G 8.03 3.56 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 0.00 128 Y 7.68 4.33 0.00 3.37 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 0.00 129 L 8.55 5.21 0.00 1.44 1.39 0.44 0.56 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 0.00 130 F 9.26 4.92 0.00 2.49 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.82 4.45 0.00 1.99 1.80 0.00 3.14 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 132 F 8.21 5.07 0.00 2.40 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 0.00 133 C 9.44 5.56 0.00 2.93 2.86 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 0.00 134 Q 8.68 4.78 0.00 2.24 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 135 D 8.73 4.96 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.