NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3626 8.3044 120.3303 55.1476 33.4013 174.2829 2 R 4.1265 8.3775 123.8360 55.1007 30.8306 174.1583 3 H 5.0336 9.3727 123.6539 54.3565 31.3817 174.6403 4 I 4.1102 8.3328 122.4808 61.4860 37.6821 176.1682 5 S 4.7744 8.5867 118.4265 56.2733 65.0096 173.2767 6 P 4.2385 0.0000 0.0000 66.2428 30.9570 178.6873 7 E 3.9740 7.7005 116.5141 59.6023 29.4023 179.3694 8 E 4.0640 8.0799 118.4722 58.8789 29.4596 179.2426 9 L 3.9945 7.7151 120.2285 58.0982 42.3901 178.5399 10 I 3.7331 7.9867 119.7311 64.5540 37.0469 178.2515 11 A 4.0870 8.0665 121.4095 55.1442 18.2850 179.6598 12 L 3.9867 8.0523 117.5774 58.0882 41.5759 179.3533 13 H 4.3133 8.2146 119.4793 58.8292 29.9163 177.0309 14 D 4.3057 8.6482 120.8763 57.3138 40.6384 178.5885 15 A 4.0001 7.9763 121.1708 55.4894 18.1832 179.5456 16 N 4.4478 7.9358 113.4355 56.3333 38.6585 177.2711 17 I 3.9132 7.8649 119.9565 64.0093 38.1154 177.8311 18 S 4.2935 8.4338 115.9177 61.8931 62.7692 175.5758 19 R 3.6264 8.0455 120.2877 58.9430 29.7565 176.6917 20 Y 4.2312 6.4774 119.5563 58.9187 39.5287 176.7807 *28 D 4.7782 8.1337 117.4181 52.9030 40.8006 174.2302 29 P 5.0780 0.0000 0.0000 64.7549 33.1521 174.9809 30 G 4.2771 7.9187 112.7797 46.6637 0.0000 177.4189 31 R 3.8400 9.1099 125.8335 61.1531 28.9807 177.8896 32 A 4.2775 7.9281 121.2989 54.8054 18.4564 179.1430 33 E 3.8683 7.7914 117.8488 59.4923 29.6329 179.0246 34 A 4.0349 7.7197 120.9286 54.9123 18.3749 179.6603 35 I 3.6240 7.9151 118.4263 64.6908 37.2271 178.6297 36 I 3.8038 7.8347 120.6262 64.3240 36.8739 178.7335 37 G 3.5845 8.0292 106.4610 47.8080 0.0000 175.4849 38 R 3.8718 8.2090 121.8364 59.0920 30.0591 178.7966 39 V 3.3575 7.9409 118.1317 66.1891 31.6749 178.0206 40 Q 3.9389 8.6285 117.9026 58.7000 28.3709 178.8797 41 A 3.7140 8.1963 122.0774 55.1875 18.4695 179.5997 42 R 3.8833 7.9594 117.1765 59.6276 30.0726 178.8730 43 V 3.5356 7.8493 117.7972 65.7430 31.6026 177.9448 44 A 3.8569 7.7317 120.1607 55.5628 18.0942 179.3713 45 Y 4.3680 7.9223 114.1004 60.8258 38.0651 177.1380 46 E 4.4148 8.4603 116.5947 55.3027 30.2831 175.7584 47 E 3.6805 7.6111 116.9006 57.3469 27.0855 175.5122 48 I 4.2353 7.9982 118.5515 60.5220 38.0906 176.2329 49 T 4.4012 8.5315 119.9884 62.0071 69.3770 174.2965 50 D 4.8905 7.7186 121.1124 51.7310 42.4734 177.0729 51 L 3.8521 8.2911 122.1213 58.2562 41.6291 180.0017 52 F 4.3120 7.7628 117.0320 60.3774 38.9944 177.2782 53 E 4.0137 8.4181 118.7419 59.1277 29.5307 178.9309 54 V 3.6439 8.0062 118.5014 65.8691 31.6754 177.7928 55 S 4.1984 8.6540 113.0930 61.6459 62.1884 176.1639 56 A 4.1243 8.3824 123.3143 55.4095 18.0879 179.7741 57 T 3.8578 7.9033 114.3409 66.9552 68.3993 176.5024 58 Y 3.9591 8.2217 118.7363 60.8958 37.8574 178.4564 59 L 4.0061 8.0836 121.2591 58.0244 42.2587 179.1718 60 V 3.5796 7.8919 117.9826 66.0863 31.4193 177.8837 61 A 4.0424 8.0621 120.4786 55.5374 18.1918 179.7511 62 T 4.1087 8.3953 114.2340 66.3929 68.5532 177.1750 63 A 3.9867 8.4998 123.2401 55.3426 18.5914 179.8876 64 R 4.2040 8.2321 116.7581 59.3479 29.9317 179.3257 65 G 3.7265 7.8488 104.0943 46.6876 0.0000 174.8578 66 Y 4.2901 7.7450 117.7528 59.8745 38.6600 177.3018 67 I 3.6863 7.8450 119.9718 64.3926 37.7587 177.3901 68 F 4.6497 6.7086 118.2284 56.3671 37.3717 174.8174 69 N 4.6756 7.4665 121.5555 52.0353 40.6710 175.3978 70 D 4.0062 8.2799 118.6854 57.4987 40.5638 178.7915 71 A 3.9417 7.5642 120.7313 54.9047 18.4666 179.0851 72 N 4.2827 8.7416 115.8637 56.9030 39.1191 177.2418 73 K 4.0330 8.4179 122.6240 60.2572 32.0652 180.1400 74 R 4.0936 7.9935 120.6637 61.2371 29.5008 181.0321 75 T 4.0855 7.8364 115.1917 66.6716 68.2557 176.5253 76 A 4.1027 8.0107 122.6581 55.0510 18.4166 179.4297 77 L 3.9250 8.0529 118.6906 58.5917 42.1886 178.7706 78 N 4.3619 8.3914 116.7493 56.5444 38.4459 177.4925 79 S 4.1687 8.1428 115.3813 61.0363 63.0877 176.5130 80 A 4.0274 7.7749 124.2811 55.0959 18.1127 179.6498 81 L 3.8861 7.9620 117.5866 57.6535 41.6411 179.4372 82 L 3.8963 8.2081 120.5876 58.2207 41.8433 178.6375 83 F 4.0854 8.0990 119.1102 61.3694 39.4211 176.9167 84 L 3.8252 7.7764 118.4442 57.7488 41.4442 179.1623 85 R 3.9470 7.9306 118.2387 59.8380 29.9002 179.1606 86 R 3.9447 7.8582 115.7395 58.2391 29.9682 177.8226 87 N 4.8224 7.6478 115.3795 52.5375 39.3530 175.3133 88 G 3.8047 7.8675 107.2973 45.7729 0.0000 173.9969 89 V 4.0459 7.2835 118.5080 61.0857 32.6330 175.1366 90 Q 4.2179 8.5230 128.0972 55.5611 29.6632 175.2222 91 V 3.7358 7.9829 117.7398 59.3955 34.9291 174.4840 92 F 4.9769 7.2606 114.9351 55.3687 40.5788 173.4926 93 D 4.6025 8.6964 121.4880 54.2039 41.9551 175.5261 94 S 4.8132 8.3867 119.3270 55.6219 65.5347 172.9189 95 P 4.3279 0.0000 0.0000 65.5008 31.2485 177.7605 96 E 4.0368 8.2102 119.3330 59.0633 29.2810 178.4973 97 L 3.9855 8.1547 119.1250 57.2892 41.4062 179.2192 98 A 4.0072 7.9173 120.4329 55.4677 18.6425 179.3659 99 D 4.2140 8.0194 116.5547 56.9859 40.9342 178.5959 100 L 3.9832 7.5472 121.4473 58.1139 42.0331 179.1831 101 T 3.8112 7.6247 115.9653 66.5501 68.3901 177.3025 102 V 3.4661 7.3441 113.9674 64.2854 31.6132 178.5352 103 G 3.8558 7.7786 104.9310 48.1352 0.0000 175.4463 104 A 4.1852 8.1142 124.3286 53.8498 18.2835 179.2974 105 A 3.6813 7.9220 118.9311 55.4493 18.3443 179.5149 106 T 4.1170 7.6128 106.6433 62.5060 69.3304 175.8946 107 G 4.0798 7.3385 107.7681 45.2566 0.0000 174.4040 108 E 4.0341 8.1253 120.1265 58.3195 29.3697 177.2836 109 I 4.3541 7.4202 120.3063 59.1795 39.0782 175.5630 110 S 4.2965 8.3762 120.9103 57.7321 65.1597 175.2872 111 V 3.6060 8.3110 122.8538 65.4536 30.8847 178.6879 112 S 4.1336 7.9841 115.0659 61.4077 62.6251 176.6884 113 S 4.1348 7.7635 116.5914 61.3092 62.4605 176.8091 114 V 3.5153 7.7035 120.4334 66.0135 31.2861 177.8610 115 A 3.9963 8.0508 120.4459 55.2994 18.1714 179.1533 116 D 4.2743 8.2264 116.4467 57.6615 41.4070 178.5276 117 T 3.8101 8.1578 116.5727 66.6773 68.4804 176.5872 118 L 3.8816 8.2345 121.2152 57.7419 41.6718 179.5194 119 R 3.9214 8.4415 119.1330 59.3077 29.7388 178.6046 120 R 3.8526 7.8526 117.6695 59.3358 30.1966 178.2860 121 L 4.0082 7.3371 116.8960 57.4764 41.6807 177.7059 122 Y 4.8872 7.4660 112.8283 57.8267 39.7665 176.5606 123 G 3.8791 7.6949 108.1789 44.7710 0.0000 173.5017 124 S 4.3634 8.3141 116.2052 57.3575 63.7604 174.6565 125 A 4.1796 8.5315 123.1155 52.9609 18.0147 177.5510 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 M 8.30 4.36 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 2 R 8.38 4.13 0.00 1.78 1.72 0.00 3.29 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.76 0.00 3 H 9.37 5.03 0.00 3.27 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.33 4.11 1.94 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 0.96 0.00 0.00 5 S 8.59 4.77 0.00 4.17 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 6 P 0.00 4.24 0.00 2.18 2.18 0.00 3.62 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 2.13 2.21 0.00 7 E 7.70 3.97 0.00 2.14 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 2.34 2.41 0.00 8 E 8.08 4.06 0.00 1.99 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 2.34 2.33 0.00 9 L 7.72 3.99 0.00 1.78 1.83 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.99 3.73 1.89 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 0.41 0.94 0.00 0.00 11 A 8.07 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.05 3.99 0.00 1.93 1.78 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.21 4.31 0.00 3.30 3.49 0.00 5.64 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 14 D 8.65 4.31 0.00 2.73 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 15 A 7.98 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.94 4.45 0.00 3.03 3.06 0.00 0.00 7.05 7.23 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 17 I 7.86 3.91 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.61 0.92 0.00 0.00 18 S 8.43 4.29 0.00 3.94 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 19 R 8.05 3.63 0.00 1.82 1.35 0.00 3.08 0.00 0.00 3.04 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.42 0.00 20 Y 6.48 4.23 0.00 3.01 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 *28 D 8.13 4.78 0.00 2.63 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 29 P 0.00 5.08 0.00 2.17 2.24 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 30 G 7.92 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 31 R 9.11 3.84 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 32 A 7.93 4.28 1.44 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 0.00 0.00 33 E 7.79 3.87 0.00 2.26 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 2.32 2.34 0.00 34 A 7.72 4.03 1.34 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 0.00 0.00 35 I 7.92 3.62 2.07 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.99 0.00 0.00 36 I 7.83 3.80 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.96 0.00 0.00 37 G 8.03 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.21 3.87 0.00 2.04 2.13 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 39 V 7.94 3.36 1.81 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 -0.07 0.00 0.00 0.62 0.00 0.00 40 Q 8.63 3.94 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 41 A 8.20 3.71 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.88 0.00 1.91 1.90 0.00 3.10 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 43 V 7.85 3.54 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 1.00 0.00 0.00 0.91 0.00 0.00 44 A 7.73 3.86 1.04 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 45 Y 7.92 4.37 0.00 3.07 2.92 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 46 E 8.46 4.41 0.00 2.13 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 0.00 2.35 2.44 0.00 47 E 7.61 3.68 0.00 2.16 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 0.00 2.26 2.28 0.00 48 I 8.00 4.24 1.88 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 1.20 0.53 0.93 0.00 0.00 49 T 8.53 4.40 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 1.23 0.00 0.00 50 D 7.72 4.89 0.00 3.05 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 51 L 8.29 3.85 0.00 1.16 1.30 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 F 7.76 4.31 0.00 3.11 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 53 E 8.42 4.01 0.00 2.34 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 2.37 1.93 0.00 54 V 8.01 3.64 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 1.12 0.00 0.00 1.02 0.00 0.00 55 S 8.65 4.20 0.00 3.95 4.10 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 56 A 8.38 4.12 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 0.00 0.00 0.00 0.00 0.00 57 T 7.90 3.86 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 1.12 0.00 0.00 58 Y 8.22 3.96 0.00 3.25 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 59 L 8.08 4.01 0.00 1.85 1.85 0.95 0.93 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 60 V 7.89 3.58 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 0.99 0.00 0.00 1.03 0.00 0.00 61 A 8.06 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 62 T 8.40 4.11 4.39 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 1.34 0.00 0.00 63 A 8.50 3.99 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 64 R 8.23 4.20 0.00 2.06 2.13 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 65 G 7.85 3.73 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 0.00 0.00 0.00 66 Y 7.75 4.29 0.00 3.08 2.97 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 0.00 0.00 0.00 67 I 7.85 3.69 1.43 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 1.17 0.43 0.31 0.00 0.00 68 F 6.71 4.65 0.00 3.29 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 69 N 7.47 4.68 0.00 2.92 3.12 0.00 0.00 6.11 8.07 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 70 D 8.28 4.01 0.00 2.03 1.54 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 71 A 7.56 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.74 4.28 0.00 2.81 3.10 0.00 0.00 7.22 6.94 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 73 K 8.42 4.03 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.83 7.81 74 R 7.99 4.09 0.00 1.85 1.93 0.00 3.27 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 75 T 7.84 4.09 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 A 8.01 4.10 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 77 L 8.05 3.92 0.00 1.87 1.69 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.39 4.36 0.00 3.01 2.90 0.00 0.00 6.87 7.39 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 79 S 8.14 4.17 0.00 4.10 4.14 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 80 A 7.77 4.03 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.96 3.89 0.00 1.88 1.68 0.94 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.21 3.90 0.00 1.89 1.87 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.10 4.09 0.00 3.07 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 84 L 7.78 3.83 0.00 1.74 1.57 0.95 0.96 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 85 R 7.93 3.95 0.00 2.03 1.95 0.00 3.10 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 86 R 7.86 3.94 0.00 1.75 1.90 0.00 3.26 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 87 N 7.65 4.82 0.00 2.17 2.55 0.00 0.00 7.04 8.50 0.00 0.00 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 G 7.87 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 0.00 0.00 0.00 89 V 7.28 4.05 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 0.78 0.00 0.00 0.89 0.00 0.00 90 Q 8.52 4.22 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 91 V 7.98 3.74 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 0.29 0.00 0.00 0.75 0.00 0.00 92 F 7.26 4.98 0.00 3.15 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 93 D 8.70 4.60 0.00 2.72 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 94 S 8.39 4.81 0.00 3.93 3.59 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 95 P 0.00 4.33 0.00 2.23 2.20 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 96 E 8.21 4.04 0.00 2.03 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 2.34 2.38 0.00 97 L 8.15 3.99 0.00 1.81 1.72 0.99 0.66 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 98 A 7.92 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.21 0.00 2.68 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 0.00 100 L 7.55 3.98 0.00 1.88 1.84 0.89 0.73 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 0.00 101 T 7.62 3.81 4.20 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 1.23 0.00 0.00 102 V 7.34 3.47 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 0.79 0.00 0.00 0.96 0.00 0.00 103 G 7.78 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 0.00 0.00 0.00 104 A 8.11 4.19 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 0.00 105 A 7.92 3.68 0.37 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 0.00 106 T 7.61 4.12 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 1.16 0.00 0.00 107 G 7.34 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 0.00 108 E 8.13 4.03 0.00 2.35 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 0.00 2.34 2.15 0.00 109 I 7.42 4.35 1.83 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 1.44 1.10 0.88 0.00 0.00 110 S 8.38 4.30 0.00 4.03 3.97 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 0.00 0.00 0.00 111 V 8.31 3.61 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 0.86 0.00 0.00 0.90 0.00 0.00 112 S 7.98 4.13 0.00 3.87 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 0.00 113 S 7.76 4.13 0.00 3.89 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 0.00 114 V 7.70 3.52 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 1.07 0.00 0.00 0.93 0.00 0.00 115 A 8.05 4.00 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 0.00 116 D 8.23 4.27 0.00 2.73 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 0.00 117 T 8.16 3.81 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 1.13 0.00 0.00 118 L 8.23 3.88 0.00 1.84 1.83 0.97 0.78 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 0.00 119 R 8.44 3.92 0.00 2.00 2.05 0.00 3.11 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 120 R 7.85 3.85 0.00 1.87 2.05 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 1.60 1.65 0.00 121 L 7.34 4.01 0.00 1.17 0.23 0.82 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.47 4.89 0.00 3.03 2.92 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 0.00 123 G 7.69 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 0.00 124 S 8.31 4.36 0.00 3.89 3.85 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 0.00 125 A 8.53 4.18 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 * Residues marked with a * may have inaccurate shift predictions.