NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 3.8782 8.0544 120.6571 62.7492 32.7981 173.9814 6 N 4.7193 8.9131 127.6286 51.2782 41.2869 171.7550 7 I 4.2819 9.0660 128.8276 60.7195 38.2969 175.3739 8 L 4.6124 8.3834 127.8933 54.1255 42.9336 176.5532 9 N 4.7475 9.0464 119.4705 51.4879 39.4107 176.1033 10 E 3.9185 8.7936 117.3455 60.0361 29.4126 179.8756 11 Q 3.9841 8.0837 117.1873 58.7158 28.8001 178.4156 12 E 3.8653 8.8475 119.9678 59.1996 29.5232 179.1051 13 A 3.8551 8.0786 120.8310 55.3316 18.3623 179.7657 14 L 4.0568 8.2388 119.8982 58.2706 41.3478 180.3048 15 E 3.9460 7.8628 117.7258 61.3518 29.9874 182.4538 16 R 3.7876 7.6477 119.4151 58.5875 29.9664 179.1056 17 L 4.3665 7.9402 118.9322 58.2207 41.4443 179.6514 18 Q 4.2604 7.8658 117.0794 58.6411 28.6771 177.9860 19 S 4.3246 7.8312 113.6135 60.1313 63.3775 174.1903 20 V 4.6929 7.5320 111.8022 59.5862 34.9205 175.0868 21 S 3.8118 8.4878 112.2684 57.4467 64.7157 172.6707 22 L 5.2479 8.2780 123.0051 53.8316 44.0122 175.4038 23 G 4.0142 9.1491 112.1295 45.2097 0.0000 170.8649 24 R 4.9246 8.4307 117.5342 54.1024 34.4053 175.0289 25 V 4.4613 7.8661 122.7463 61.0451 33.9516 174.2833 26 V 4.4404 8.6499 128.6633 61.4758 32.9696 175.1987 27 V 4.7877 8.4717 121.2776 59.7398 34.7831 175.1749 28 R 4.8061 8.3694 123.2896 55.6351 33.9196 174.9017 29 R 4.7676 9.0144 124.0039 55.2630 33.1108 174.2476 30 S 3.6964 8.3370 123.0542 59.4224 61.5306 173.2271 31 D 4.6798 9.1704 130.9356 55.6171 40.9138 176.1016 32 E 4.3701 8.0418 117.1171 54.3189 31.7061 179.0261 *34 D 4.6970 8.0542 115.1532 55.4689 42.0985 173.5774 35 I 4.9704 7.9758 122.1683 59.2438 41.3622 174.2008 36 F 5.1356 7.7254 121.9786 54.6627 41.3847 172.0244 37 P 4.9096 0.0000 0.0000 63.1457 32.3691 175.8092 38 V 4.4527 8.6935 113.8250 59.9327 36.4599 173.8477 39 N 5.4892 8.6521 121.2053 52.2835 39.7267 174.3145 40 F 5.4306 8.9519 117.7931 55.3862 42.0009 173.7184 41 I 4.5360 8.8625 118.4299 59.4235 41.5120 173.5985 42 V 4.7803 8.5825 129.0729 61.6667 32.6751 174.7247 43 D 4.6032 9.0650 127.3756 53.9409 44.6272 175.1102 44 K 3.7578 9.8469 126.9810 57.6228 29.5222 177.2113 45 G 3.9908 8.2268 105.7919 45.7596 0.0000 173.3851 46 A 4.4818 7.4870 120.6821 50.8271 21.4618 176.0289 47 I 4.7282 8.2086 120.3325 59.7168 39.7921 174.5172 48 Y 5.2813 9.1904 125.2087 56.1567 40.7544 174.9539 49 I 5.2097 8.7922 115.9429 59.1524 41.7902 174.0059 50 R 5.2442 8.7172 122.5693 54.8896 32.8238 174.1994 51 T 4.8651 8.6781 114.6317 59.3944 72.9886 172.8696 52 A 4.5389 8.4498 122.8810 51.6450 18.6894 177.5527 53 E 4.3234 8.2488 121.4492 58.0234 29.9367 178.8792 54 G 3.9936 7.5631 107.5441 44.5790 0.0000 173.5153 55 N 4.3708 8.0462 120.3195 53.0444 40.2840 175.9817 56 K 3.8713 8.7432 127.2585 57.7914 31.8776 175.6231 57 L 4.0246 7.6342 117.2046 57.6886 41.5461 178.1869 58 F 4.7440 7.7519 115.5450 59.0666 39.3154 175.9683 59 S 4.6527 7.5863 117.1428 56.7749 62.4327 174.1176 *61 N 4.6032 7.7073 121.1216 52.8667 40.1244 175.3149 62 L 4.4520 7.6994 116.9634 54.1647 43.0095 177.4314 63 N 4.6109 9.0234 120.1716 53.5940 39.2260 175.5824 64 H 4.3371 8.9164 118.9264 58.7447 30.1646 175.0903 65 D 5.0431 8.1068 118.6098 54.2410 41.2117 176.3761 66 V 4.6906 9.1865 116.3193 59.6682 36.8304 174.2601 67 L 5.0783 8.5698 121.6070 53.2413 44.2311 175.5565 68 F 5.0481 9.4061 124.9768 56.3318 42.1528 173.4049 69 E 5.2092 8.5177 126.4864 54.4948 33.1817 174.2044 70 A 5.0020 8.5846 125.0779 50.9063 23.1741 174.7911 71 D 4.0894 8.0804 118.8394 52.4142 42.9797 173.6784 72 E 4.3665 7.0834 116.7785 55.2204 33.6015 174.4617 73 V 4.4036 8.1336 124.5277 61.0456 33.1076 174.8986 74 K 4.3628 9.1965 130.7115 57.0105 35.6528 175.9997 75 D 4.2504 9.4021 125.1501 54.8751 36.9293 170.6655 76 G 4.1156 8.1104 103.5464 46.4805 0.0000 172.2866 77 K 5.1261 7.9584 119.3562 54.2795 35.3904 174.7940 78 A 5.4767 9.2199 129.4754 50.2738 22.2820 174.9311 79 W 5.7709 8.3515 115.9691 55.6741 32.0708 173.6218 80 S 5.2817 9.4449 115.4657 56.8430 66.8298 172.9260 81 V 4.9034 9.1231 121.2655 61.4022 34.4119 174.0878 82 V 4.7777 8.5603 128.3395 61.1776 33.9112 174.4320 83 V 4.8462 8.8922 127.5888 61.1967 34.6974 174.1547 84 R 4.8234 8.9572 127.2582 55.2158 31.6433 175.5138 85 A 5.0207 9.1045 124.8051 50.9953 23.7644 174.3456 86 T 4.9867 8.7088 115.5437 61.9850 70.6098 173.9224 87 A 5.3428 9.1008 128.9193 50.2197 21.2219 175.6698 88 E 4.8041 8.8545 118.7613 54.6002 33.6211 174.6642 89 I 4.2567 8.2914 122.8700 61.2661 38.0622 175.8014 90 V 3.8509 8.7658 128.0144 63.0639 31.0367 175.4959 91 R 4.3608 8.7568 129.5800 57.7580 32.3712 178.3627 92 K 4.1671 8.0552 125.9593 57.0879 32.7157 180.7506 93 L 4.3018 8.9270 131.2748 59.4817 40.8212 176.3165 94 D 4.6004 8.0448 120.7194 58.7305 39.8292 180.9812 95 E 4.2926 8.1538 119.8501 59.0396 29.6162 179.4054 96 I 3.7881 7.8038 119.5012 64.3240 36.9208 178.3033 97 A 4.0886 7.7966 120.4707 55.0995 18.5638 178.8067 98 Y 4.0942 7.9054 117.6562 60.7980 38.9695 177.9653 99 A 3.2577 7.9066 121.7563 54.8579 17.9785 179.2700 100 D 4.6268 7.9500 117.6038 56.8051 40.8666 178.6925 101 T 3.9623 7.2237 109.7806 63.3537 69.3105 175.5318 102 L 3.8689 6.8720 123.2834 55.1819 42.4449 178.6663 103 E 4.2490 8.3922 120.2336 54.6898 27.9879 173.2879 104 L 4.5946 7.5633 123.1069 53.2860 43.6320 176.2841 105 K 4.4584 8.2485 125.9856 53.5112 32.3113 174.1273 106 P 4.5057 0.0000 0.0000 61.7323 32.3292 177.2176 107 W 4.5673 8.7827 119.9867 59.6556 29.0207 177.2415 108 I 4.4767 7.4894 120.3108 58.1254 36.9068 172.3668 109 P 4.3291 0.0000 0.0000 62.5189 31.9687 176.8374 110 T 4.6070 8.0417 111.2217 59.5011 71.3834 175.2955 111 L 4.0014 8.6419 123.9034 57.9211 42.4793 176.9489 112 K 4.7193 7.9603 118.2112 55.0292 33.8005 175.0273 113 Y 5.3229 7.7893 121.4802 55.8688 41.2816 173.6990 114 N 5.0075 8.9896 117.2066 51.7132 42.0102 173.6138 115 Y 4.8040 8.6450 120.4707 57.6234 40.3571 174.4289 116 V 4.9031 8.9501 122.4840 61.2415 34.5794 174.1054 117 R 4.4325 9.0711 129.4175 55.1717 31.6592 174.8853 118 I 4.4046 8.7379 128.3468 59.7937 39.2717 174.9317 119 V 4.3368 8.4081 129.1167 60.3619 32.8031 173.4387 120 P 4.6959 0.0000 0.0000 63.2815 31.2201 176.1834 121 N 4.6545 9.2874 122.5952 55.3202 39.5583 175.2940 122 E 4.7574 7.8607 117.3874 54.7251 33.7887 174.2287 123 I 4.9051 8.2641 124.6872 60.2927 40.5428 174.6107 124 T 4.7134 8.8623 124.2107 62.0394 71.6363 174.0212 125 G 4.5592 8.2290 109.1301 45.3941 0.0000 171.9332 126 R 5.1835 9.0751 119.7607 54.3170 35.2150 173.9084 127 E 5.2881 8.8787 122.1402 54.7568 33.4379 174.0497 128 F 5.2521 9.8537 124.6177 56.0467 43.2672 173.8516 129 T 4.9657 8.5828 118.0456 61.9332 70.2683 174.6465 130 L 4.3051 8.6046 125.4692 55.0016 41.3889 176.8339 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 5 V 8.05 3.88 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 0.62 0.00 0.00 1.11 0.00 0.00 6 N 8.91 4.72 0.00 2.80 2.67 0.00 0.00 6.76 6.87 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 7 I 9.07 4.28 1.83 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 1.29 0.61 0.88 0.00 0.00 8 L 8.38 4.61 0.00 1.49 1.54 0.90 1.01 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 9 N 9.05 4.75 0.00 2.91 2.93 0.00 0.00 7.23 8.46 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 10 E 8.79 3.92 0.00 2.01 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 2.39 2.41 0.00 11 Q 8.08 3.98 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 12 E 8.85 3.87 0.00 2.17 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 2.27 2.42 0.00 13 A 8.08 3.86 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 14 L 8.24 4.06 0.00 1.72 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.86 3.95 0.00 2.08 1.87 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 2.26 2.23 0.00 16 R 7.65 3.79 0.00 1.00 0.66 0.00 2.56 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.13 0.00 17 L 7.94 4.37 0.00 2.01 2.01 1.14 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.87 4.26 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 19 S 7.83 4.32 0.00 4.08 4.03 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 20 V 7.53 4.69 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 1.11 0.00 0.00 1.43 0.00 0.00 21 S 8.49 3.81 0.00 3.60 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 22 L 8.28 5.25 0.00 1.80 1.73 1.14 1.21 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 23 G 9.15 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 24 R 8.43 4.92 0.00 1.43 1.50 0.00 2.97 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 25 V 7.87 4.46 1.39 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 0.85 0.00 0.00 1.08 0.00 0.00 26 V 8.65 4.44 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 0.87 0.00 0.00 0.78 0.00 0.00 27 V 8.47 4.79 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 0.81 0.00 0.00 1.15 0.00 0.00 28 R 8.37 4.81 0.00 1.83 1.71 0.00 3.12 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 29 R 9.01 4.77 0.00 1.66 1.75 0.00 3.47 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 30 S 8.34 3.70 0.00 4.02 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 31 D 9.17 4.68 0.00 2.64 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 32 E 8.04 4.37 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 2.18 2.10 0.00 *34 D 8.05 4.70 0.00 2.75 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 35 I 7.98 4.97 1.76 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.95 0.88 0.00 0.00 36 F 7.73 5.14 0.00 3.13 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 37 P 0.00 4.91 0.00 1.67 2.07 0.00 3.79 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 1.57 2.12 0.00 38 V 8.69 4.45 2.25 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 0.97 0.00 0.00 1.21 0.00 0.00 39 N 8.65 5.49 0.00 2.61 2.77 0.00 0.00 6.72 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 40 F 8.95 5.43 0.00 3.07 3.22 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 41 I 8.86 4.54 1.87 0.00 0.00 0.81 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 1.57 1.05 0.00 0.00 42 V 8.58 4.78 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 1.18 0.00 0.00 43 D 9.06 4.60 0.00 2.71 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 44 K 9.85 3.76 0.00 2.09 1.86 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.48 7.81 45 G 8.23 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 0.00 0.00 0.00 46 A 7.49 4.48 0.98 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 0.00 0.00 47 I 8.21 4.73 1.35 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.56 0.12 0.00 0.00 48 Y 9.19 5.28 0.00 2.98 2.90 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 49 I 8.79 5.21 2.06 0.00 0.00 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 1.44 1.15 1.16 0.00 0.00 50 R 8.72 5.24 0.00 1.79 1.82 0.00 2.53 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.33 0.00 51 T 8.68 4.87 4.16 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 1.19 0.00 0.00 52 A 8.45 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.25 4.32 0.00 2.08 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 2.33 2.27 0.00 54 G 7.56 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 0.00 0.00 0.00 55 N 8.05 4.37 0.00 2.72 1.84 0.00 0.00 7.14 6.71 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 56 K 8.74 3.87 0.00 1.72 1.83 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.06 7.81 57 L 7.63 4.02 0.00 1.10 1.57 0.08 0.77 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 58 F 7.75 4.74 0.00 3.15 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 59 S 7.59 4.65 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 N 7.71 4.60 0.00 2.76 2.89 0.00 0.00 7.28 7.85 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 62 L 7.70 4.45 0.00 1.68 1.64 1.05 1.15 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 63 N 9.02 4.61 0.00 2.70 2.79 0.00 0.00 6.99 8.62 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 64 H 8.92 4.34 0.00 3.09 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.11 5.04 0.00 2.58 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 66 V 9.19 4.69 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 0.79 0.00 0.00 1.03 0.00 0.00 67 L 8.57 5.08 0.00 1.53 1.52 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.41 5.05 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 5.21 0.00 1.79 1.47 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 2.32 2.29 0.00 70 A 8.58 5.00 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 71 D 8.08 4.09 0.00 2.41 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.08 4.37 0.00 1.49 1.14 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 2.11 2.13 0.00 73 V 8.13 4.40 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 0.83 0.00 0.00 0.82 0.00 0.00 74 K 9.20 4.36 0.00 1.83 1.68 0.00 2.01 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.42 7.81 75 D 9.40 4.25 0.00 2.89 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.11 4.12 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 0.00 77 K 7.96 5.13 0.00 2.10 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.57 7.81 78 A 9.22 5.48 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 79 W 8.35 5.77 0.00 3.57 3.19 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 80 S 9.44 5.28 0.00 3.95 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 81 V 9.12 4.90 2.34 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 1.07 0.00 0.00 1.07 0.00 0.00 82 V 8.56 4.78 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 0.87 0.00 0.00 0.95 0.00 0.00 83 V 8.89 4.85 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 0.81 0.00 0.00 1.00 0.00 0.00 84 R 8.96 4.82 0.00 1.80 1.84 0.00 3.34 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 85 A 9.10 5.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.71 4.99 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 1.24 0.00 0.00 87 A 9.10 5.34 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 88 E 8.85 4.80 0.00 2.06 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 2.20 2.31 0.00 89 I 8.29 4.26 1.74 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.35 0.71 0.00 0.00 90 V 8.77 3.85 2.31 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 0.84 0.00 0.00 1.19 0.00 0.00 91 R 8.76 4.36 0.00 1.81 1.92 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 92 K 8.06 4.17 0.00 1.76 1.71 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 93 L 8.93 4.30 0.00 1.64 1.73 0.92 1.06 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 94 D 8.04 4.60 0.00 2.67 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 95 E 8.15 4.29 0.00 2.17 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 2.39 2.40 0.00 96 I 7.80 3.79 2.05 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 1.61 1.29 1.05 0.00 0.00 97 A 7.80 4.09 1.40 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 98 Y 7.91 4.09 0.00 3.03 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 99 A 7.91 3.26 -0.10 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 0.00 0.00 100 D 7.95 4.63 0.00 2.92 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 0.00 101 T 7.22 3.96 4.09 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 1.18 0.00 0.00 102 L 6.87 3.87 0.00 1.57 1.49 0.45 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.39 4.25 0.00 1.99 1.78 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 2.23 1.86 0.00 104 L 7.56 4.59 0.00 1.61 1.67 1.13 0.94 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 0.00 105 K 8.25 4.46 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 106 P 0.00 4.51 0.00 2.04 1.97 0.00 3.65 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 1.94 2.06 0.00 107 W 8.78 4.57 0.00 3.38 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 0.00 108 I 7.49 4.48 1.94 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 0.74 0.94 0.00 0.00 109 P 0.00 4.33 0.00 2.10 1.99 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 110 T 8.04 4.61 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 1.23 0.00 0.00 111 L 8.64 4.00 0.00 1.65 1.78 0.97 0.60 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 0.00 112 K 7.96 4.72 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.36 7.81 113 Y 7.79 5.32 0.00 2.93 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 0.00 114 N 8.99 5.01 0.00 2.74 2.60 0.00 0.00 7.33 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 0.00 115 Y 8.64 4.80 0.00 3.11 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 0.00 116 V 8.95 4.90 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 1.09 0.00 0.00 1.24 0.00 0.00 117 R 9.07 4.43 0.00 1.91 1.73 0.00 3.05 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.00 118 I 8.74 4.40 1.70 0.00 0.00 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 1.12 0.61 0.82 0.00 0.00 119 V 8.41 4.34 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 0.91 0.00 0.00 0.85 0.00 0.00 120 P 0.00 4.70 0.00 1.94 1.95 0.00 3.65 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 2.08 2.02 0.00 121 N 9.29 4.65 0.00 2.64 2.86 0.00 0.00 6.73 7.52 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 0.00 122 E 7.86 4.76 0.00 1.99 1.71 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 2.27 2.34 0.00 123 I 8.26 4.91 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.77 0.92 0.00 0.00 124 T 8.86 4.71 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 1.22 0.00 0.00 125 G 8.23 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 0.00 126 R 9.08 5.18 0.00 1.72 1.40 0.00 3.00 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 127 E 8.88 5.29 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 2.28 2.69 0.00 128 F 9.85 5.25 0.00 2.89 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 0.00 129 T 8.58 4.97 4.31 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 1.31 0.00 0.00 130 L 8.60 4.31 0.00 1.55 1.57 0.91 0.66 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 * Residues marked with a * may have inaccurate shift predictions.