NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6260 8.3049 120.6162 55.3660 33.6901 174.6439 2 I 4.0833 9.1720 127.9495 60.2271 38.8198 169.6437 3 V 4.5125 9.7394 128.5904 61.6579 33.4180 174.4250 4 S 5.5074 9.0710 123.9509 57.0805 66.7041 173.0506 5 M 5.4109 9.0108 121.2916 53.6861 35.2988 174.6450 6 I 5.2556 9.0541 122.4134 59.4504 41.0443 174.2161 7 A 4.9195 8.9206 128.6956 50.9805 23.1777 174.4012 8 A 5.1960 8.7001 120.8457 50.1820 21.4848 176.2131 9 L 5.0241 8.6101 121.5654 52.9232 45.9645 176.9982 10 A 4.4787 8.4076 125.1799 50.0219 21.1642 176.2369 11 N 4.2102 8.6777 114.8984 55.3773 38.9287 175.3838 12 N 4.1912 9.6047 116.8334 54.6808 36.2671 175.4956 13 R 4.2384 8.0382 114.9666 56.1824 28.7683 176.4582 14 V 3.6857 7.5867 118.6514 63.1872 31.6964 176.2466 15 I 4.8927 8.6674 119.3922 60.4916 39.3672 175.5345 16 G 4.0303 7.3316 108.9018 44.1009 0.0000 171.4744 17 L 4.9015 8.8434 122.6083 54.5239 45.2493 176.1323 18 D 4.5223 10.0475 127.0855 55.6991 38.8975 173.5927 19 N 4.2686 8.6109 109.1631 53.5878 36.3009 174.3658 20 K 4.4088 7.5789 116.1522 55.4395 35.7780 174.8429 21 M 3.5891 8.0008 119.8174 54.4627 32.4077 176.2708 22 P 4.4131 0.0000 0.0000 59.6233 30.5008 174.5519 23 W 4.6666 6.5156 113.8059 56.8424 30.7786 173.9288 24 H 4.9577 8.7173 116.9750 54.5456 30.0021 175.8988 25 L 4.6356 8.0914 122.8947 52.6003 43.6651 172.9206 26 P 4.2305 0.0000 0.0000 64.9710 31.6450 177.5643 27 A 3.9438 8.7493 120.4345 54.9660 18.1072 179.2988 28 E 3.8978 8.1638 116.3049 59.7298 29.4043 179.5292 29 L 4.2453 7.9056 119.5745 57.3724 41.6573 179.4055 30 Q 3.9936 7.8922 117.7056 59.0027 28.7671 178.5819 31 L 3.9213 7.8811 119.9626 57.6361 41.5041 179.2833 32 F 4.0743 8.8015 120.9557 61.2087 39.4185 177.0043 33 K 3.9736 8.7889 122.0610 60.3419 31.7846 179.6306 34 R 3.9235 7.8237 119.4219 61.2857 29.4086 180.1538 35 A 4.3298 7.8451 120.3994 54.0684 18.8006 178.7330 36 T 4.0967 7.1847 107.1416 60.9859 70.1817 174.5636 37 L 4.0302 7.1032 123.9468 56.3299 42.4435 176.7539 38 G 3.9354 8.9844 113.4751 45.9069 0.0000 172.9908 39 K 4.7616 7.5785 117.4746 53.2869 36.4689 174.0259 40 P 4.7489 0.0000 0.0000 62.5938 32.7661 175.3459 41 I 4.9882 9.0096 117.2715 59.0590 40.8217 174.3295 42 V 5.0352 8.9662 125.7032 61.3333 33.9944 174.1260 43 M 5.2649 9.0382 124.2894 53.4206 35.2125 174.9037 44 G 4.0963 8.8714 108.1749 45.8869 0.0000 174.8718 45 R 4.0672 8.8919 119.8843 60.1996 29.1316 179.2247 46 N 4.3448 8.1254 119.9355 57.2553 37.6113 178.7883 47 T 4.0351 7.8362 117.6450 66.5005 68.6614 176.3476 48 F 4.2552 8.2853 122.5134 61.4793 39.1842 177.0512 49 E 3.8538 8.2388 117.2254 59.2147 29.2811 179.1433 50 S 4.1952 7.8831 114.7640 61.6154 62.9301 176.4502 51 I 3.8202 7.4108 121.6538 62.2493 36.8649 177.5356 52 G 3.6106 8.2532 108.0855 45.5258 0.0000 173.5023 53 R 4.2625 6.5242 115.5285 54.7332 32.6069 176.3645 54 P 4.9457 0.0000 0.0000 63.4176 32.0106 175.7863 55 L 4.5066 9.5153 121.0889 52.9977 42.6595 175.0751 56 P 4.4543 0.0000 0.0000 63.8850 31.9805 176.8473 57 G 4.0148 9.5261 109.4402 45.2533 0.0000 172.7648 58 R 4.9702 7.1346 116.5884 53.9774 34.6840 174.9013 59 L 4.2484 8.2170 123.8933 54.6538 43.3443 175.4436 60 N 5.1625 8.7409 125.1149 52.6847 40.1316 174.2572 61 I 4.9429 8.9576 125.2692 59.3558 40.7693 174.6064 62 V 4.7685 8.9641 127.1781 61.0182 33.7028 174.4399 63 L 4.8475 8.5537 128.6619 53.6228 42.7678 174.0682 64 S 3.9964 9.1055 125.6017 60.3691 69.6441 179.2318 *67 T 4.4194 9.5171 110.3015 61.1070 70.5140 175.1103 68 D 4.5266 7.8906 123.5182 54.7416 40.7937 177.9775 69 Y 4.1430 8.1510 120.0707 59.5602 38.8888 176.8315 70 Q 4.4966 7.7075 127.8913 53.0205 28.9999 170.7630 71 P 4.2216 0.0000 0.0000 62.6892 32.4768 177.6114 72 E 3.6566 8.9924 117.9018 57.7897 30.3398 175.3662 73 G 4.0843 8.7241 112.8461 44.8759 0.0000 173.0444 74 V 4.3855 6.9077 114.6780 61.8569 35.4241 174.4614 75 T 4.2138 8.5351 124.7893 63.2373 69.5833 173.6405 76 V 4.8573 8.3446 126.1424 61.3475 33.6547 174.8957 77 V 4.6881 8.9869 119.5420 60.0099 36.0080 175.8000 78 A 4.5698 8.6705 122.3310 52.0766 20.3531 177.2971 79 T 4.7342 7.3947 105.2000 58.9506 73.2870 174.5341 80 L 3.9310 8.3595 122.1372 58.2861 42.1132 178.4814 81 E 3.9553 8.2037 118.0687 59.6721 29.3643 178.9066 82 D 4.3384 8.3185 118.5428 57.2664 40.8837 178.6417 83 A 3.9726 8.0948 121.3032 55.1585 18.1577 179.7203 84 V 3.5177 7.7490 115.5291 66.1965 31.8362 177.9258 85 V 3.7168 7.9259 117.6374 66.2028 31.1444 177.8937 86 A 4.0256 8.1972 119.0650 54.9616 18.2616 179.1090 87 A 4.0820 8.0115 118.2936 53.2828 18.9153 179.2240 88 G 3.9431 8.2697 104.9301 46.6843 0.0000 174.0364 89 D 4.8173 8.5894 121.2348 53.9012 41.3118 176.4854 90 V 4.1498 7.4958 110.3487 59.5981 33.1896 175.9424 91 E 4.1987 8.6040 121.7551 59.1355 30.6020 176.1840 92 E 5.1954 7.9357 118.4366 54.6386 32.9885 173.9602 93 L 4.7426 9.0720 128.8759 53.5763 45.1076 174.7630 94 M 4.8975 8.8063 125.5847 53.6955 34.3125 175.0497 95 I 4.6431 9.0566 126.8746 60.4119 38.4098 176.4177 96 I 4.4753 9.0787 120.8875 60.7810 38.5573 175.7065 97 G 2.8937 8.1298 109.4001 44.6751 0.0000 172.6765 98 G 3.9905 7.7137 106.4379 44.1612 0.0000 174.7865 99 A 4.2434 8.5521 121.2396 55.7373 18.5991 179.8320 100 T 3.8233 7.8950 113.6489 66.8646 68.5520 176.6709 101 I 3.6460 7.5518 120.9047 64.5813 37.3431 177.5280 102 Y 4.4167 7.6797 117.7183 61.5625 37.5217 178.8641 103 N 4.3501 8.2421 115.5872 56.6823 38.8011 177.3911 104 Q 4.1665 8.1091 117.7907 58.3176 29.0059 177.5269 105 C 4.5636 8.0637 116.2470 59.8065 28.9866 175.3640 106 L 3.9962 7.8147 122.5983 58.5061 41.4136 178.8294 107 A 3.9142 8.2296 117.8934 54.3809 18.3339 178.1667 108 A 4.4598 7.9492 116.8917 50.9329 19.7339 176.8090 109 A 4.4519 7.7446 122.4348 51.9636 19.2392 177.7009 110 D 4.6933 9.4363 124.0550 56.6677 42.3981 176.8886 111 R 5.4508 8.1453 115.4855 54.4706 35.1298 174.1635 112 L 5.1851 8.7086 121.5828 53.2146 45.2269 175.1760 113 Y 4.6956 9.4346 122.2807 56.5030 39.6498 174.5721 114 L 4.7992 8.4386 125.4420 52.9694 44.9170 176.3496 115 T 4.7846 8.5457 122.0121 62.6353 69.3976 174.0204 116 H 4.8100 9.2824 126.0897 55.1213 29.7482 174.9078 117 I 4.1998 8.6381 126.2589 60.4336 38.3143 175.6791 118 E 4.4857 8.9838 129.6459 55.2110 28.4398 174.3066 119 L 4.3124 7.9655 123.7424 54.1226 45.9859 173.0428 120 T 4.7089 8.6311 123.5187 62.3124 69.6182 173.9263 121 T 4.7234 8.1370 119.8766 59.5400 70.8120 172.8572 122 E 4.1405 8.6884 126.6521 56.7447 30.2448 176.2138 123 G 3.9229 8.0695 111.6463 44.6741 0.0000 172.2329 124 D 4.8012 8.0941 117.6033 52.6950 41.0391 175.5725 125 T 4.7785 6.5516 115.4921 62.1693 72.9555 172.6362 126 W 5.3886 8.9999 124.9030 54.3559 32.6286 175.1418 127 F 4.2599 9.2361 126.0217 57.7589 39.3635 173.4398 128 P 4.3117 0.0000 0.0000 62.8538 32.0271 176.4646 129 D 4.5851 8.5182 120.8831 54.0784 39.7710 176.1422 130 Y 4.8927 8.3170 123.9266 58.2959 38.8120 177.7266 131 E 4.0916 7.2404 119.1432 58.8412 29.5299 178.0118 132 Q 4.0080 7.5958 115.9803 57.4394 28.8513 175.0548 133 Y 4.7988 8.0150 114.7889 56.0268 41.1451 174.0793 134 N 5.0409 8.2232 117.5893 51.8847 40.4871 174.6665 135 W 5.5715 8.7699 122.0725 55.1506 33.3883 174.4346 136 Q 4.7792 9.4512 122.1422 54.2226 31.2744 174.3144 137 E 4.6436 8.6630 123.7097 55.6937 29.7708 176.0868 138 I 4.1783 8.7489 129.5000 64.1571 38.0974 175.9688 139 E 4.9253 7.8728 117.0330 56.0551 32.2846 174.2294 140 H 5.5478 8.4353 114.8843 54.5813 31.9902 172.4932 141 E 4.5481 9.4429 118.8505 54.9583 33.2736 174.6318 142 S 4.9929 8.4818 120.6647 57.2464 64.8328 173.2413 143 Y 4.6223 8.8776 121.2912 55.8732 41.1687 174.8704 144 A 4.7581 8.5832 124.7010 51.0370 19.7242 177.1529 145 A 4.5879 9.0498 123.1150 52.2406 19.0106 177.5967 146 D 4.4221 9.0092 121.4397 53.3985 41.3338 176.8282 147 D 4.3720 8.9429 115.4386 55.6942 40.1153 173.4882 148 K 4.4597 8.8197 115.8399 56.4055 34.0600 175.8695 149 N 4.8330 7.8081 116.6976 50.5576 38.5574 173.0321 150 P 4.5089 0.0000 0.0000 63.7630 31.7113 176.1131 151 H 5.1533 7.6769 115.8711 53.9637 32.9697 172.7763 152 N 4.9240 8.7676 117.9690 53.9140 39.9442 173.6193 153 Y 5.2848 8.2707 118.4157 55.8480 42.3036 173.5580 154 R 5.0560 9.2382 121.3464 54.6430 33.3590 173.9001 155 F 5.0286 9.5564 129.7119 57.8893 41.1484 174.1737 156 S 4.5525 7.9665 119.9266 56.2643 66.1951 172.1762 157 L 4.6117 8.2825 128.9459 53.3015 43.6567 174.8672 158 L 4.9701 8.3366 127.4552 53.6859 43.7214 175.5500 159 E 5.3375 9.6125 124.4754 54.1556 32.5348 175.1660 160 R 3.6870 9.0685 127.6721 56.1970 30.9998 176.4258 161 V 3.9956 7.9470 124.4815 62.9710 31.2424 175.1662 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 4.63 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 2 I 9.17 4.08 2.01 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 1.16 0.77 1.00 0.00 0.00 3 V 9.74 4.51 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 0.97 0.00 0.00 0.96 0.00 0.00 4 S 9.07 5.51 0.00 3.95 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 5 M 9.01 5.41 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 6 I 9.05 5.26 1.76 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 1.40 1.29 1.02 0.00 0.00 7 A 8.92 4.92 0.89 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 8 A 8.70 5.20 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 9 L 8.61 5.02 0.00 1.42 1.46 0.35 0.40 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 10 A 8.41 4.48 1.23 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 0.00 0.00 11 N 8.68 4.21 0.00 2.87 2.79 0.00 0.00 7.45 6.57 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 12 N 9.60 4.19 0.00 3.00 3.03 0.00 0.00 7.10 7.66 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 13 R 8.04 4.24 0.00 2.34 2.64 0.00 3.25 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 14 V 7.59 3.69 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 0.88 0.00 0.00 0.98 0.00 0.00 15 I 8.67 4.89 2.08 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.93 1.30 0.00 0.00 16 G 7.33 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 0.00 0.00 0.00 17 L 8.84 4.90 0.00 1.47 1.32 0.90 1.46 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 18 D 10.05 4.52 0.00 2.71 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 19 N 8.61 4.27 0.00 2.82 2.88 0.00 0.00 6.97 7.61 0.00 0.00 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 K 7.58 4.41 0.00 1.71 1.73 0.00 1.20 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.20 7.81 21 M 8.00 3.59 0.00 0.51 1.37 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 22 P 0.00 4.41 0.00 2.13 1.93 0.00 2.71 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.85 0.00 23 W 6.52 4.67 0.00 3.28 3.15 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 24 H 8.72 4.96 0.00 3.24 3.30 0.00 5.74 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 25 L 8.09 4.64 0.00 1.65 1.45 0.74 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.23 0.00 2.17 2.08 0.00 3.92 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 2.11 2.16 0.00 27 A 8.75 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.16 3.90 0.00 2.23 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 2.41 2.38 0.00 29 L 7.91 4.25 0.00 1.85 1.76 0.88 0.70 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 30 Q 7.89 3.99 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 31 L 7.88 3.92 0.00 1.91 1.70 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.80 4.07 0.00 3.17 3.24 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 33 K 8.79 3.97 0.00 2.01 1.96 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 34 R 7.82 3.92 0.00 1.97 1.83 0.00 3.32 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 35 A 7.85 4.33 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 36 T 7.18 4.10 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 0.44 0.00 0.00 37 L 7.10 4.03 0.00 1.83 1.58 0.91 1.00 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 38 G 8.98 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 39 K 7.58 4.76 0.00 1.80 1.61 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.33 7.81 40 P 0.00 4.75 0.00 2.07 1.96 0.00 3.68 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 2.11 2.08 0.00 41 I 9.01 4.99 1.95 0.00 0.00 1.00 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 1.39 0.87 0.00 0.00 42 V 8.97 5.04 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 0.81 0.00 0.00 0.94 0.00 0.00 43 M 9.04 5.26 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 44 G 8.87 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 0.00 0.00 0.00 45 R 8.89 4.07 0.00 1.79 1.82 0.00 2.88 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 46 N 8.13 4.34 0.00 2.75 2.88 0.00 0.00 6.82 7.22 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 47 T 7.84 4.04 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 1.20 0.00 0.00 48 F 8.29 4.26 0.00 3.16 3.30 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 49 E 8.24 3.85 0.00 2.02 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 2.46 2.62 0.00 50 S 7.88 4.20 0.00 3.96 3.84 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 51 I 7.41 3.82 1.85 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 1.36 0.59 0.94 0.00 0.00 52 G 8.25 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.52 4.26 0.00 1.79 1.66 0.00 3.27 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 0.00 54 P 0.00 4.95 0.00 2.25 2.21 0.00 3.54 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 2.08 2.30 0.00 55 L 9.52 4.51 0.00 1.79 1.73 1.18 1.35 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 56 P 0.00 4.45 0.00 2.06 2.00 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 57 G 9.53 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 58 R 7.13 4.97 0.00 1.65 1.83 0.00 3.18 0.00 0.00 3.05 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.52 0.00 59 L 8.22 4.25 0.00 1.78 1.56 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 60 N 8.74 5.16 0.00 2.69 2.75 0.00 0.00 6.85 7.17 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 61 I 8.96 4.94 1.96 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 1.10 0.75 0.90 0.00 0.00 62 V 8.96 4.77 2.01 0.00 0.00 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0.00 0.00 81 E 8.20 3.96 0.00 2.10 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 2.41 2.48 0.00 82 D 8.32 4.34 0.00 2.91 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 83 A 8.09 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.75 3.52 2.24 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 0.84 0.00 0.00 1.01 0.00 0.00 85 V 7.93 3.72 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 0.95 0.00 0.00 0.96 0.00 0.00 86 A 8.20 4.03 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 87 A 8.01 4.08 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 88 G 8.27 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 89 D 8.59 4.82 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.50 4.15 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 0.79 0.00 0.00 0.99 0.00 0.00 91 E 8.60 4.20 0.00 2.11 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 2.40 2.40 0.00 92 E 7.94 5.20 0.00 2.01 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 2.22 2.38 0.00 93 L 9.07 4.74 0.00 1.74 1.49 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 94 M 8.81 4.90 0.00 1.77 1.94 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 95 I 9.06 4.64 2.14 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 1.03 0.00 0.00 96 I 9.08 4.48 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.69 1.15 0.00 0.00 97 G 8.13 2.89 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 98 G 7.71 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 99 A 8.55 4.24 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 0.00 100 T 7.89 3.82 4.21 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 1.21 0.00 0.00 101 I 7.55 3.65 1.75 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 1.52 1.00 0.87 0.00 0.00 102 Y 7.68 4.42 0.00 3.08 2.52 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 0.00 103 N 8.24 4.35 0.00 2.87 2.92 0.00 0.00 7.16 8.48 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 0.00 104 Q 8.11 4.17 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 105 C 8.06 4.56 0.00 3.13 3.02 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 0.00 0.00 0.00 106 L 7.81 4.00 0.00 1.96 1.81 1.24 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.23 3.91 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 0.00 108 A 7.95 4.46 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 0.00 109 A 7.74 4.45 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 0.00 110 D 9.44 4.69 0.00 2.83 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 0.00 111 R 8.15 5.45 0.00 1.94 1.82 0.00 3.35 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 112 L 8.71 5.19 0.00 0.92 1.07 -0.39 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 9.43 4.70 0.00 2.91 3.15 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 0.00 114 L 8.44 4.80 0.00 0.94 0.92 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.55 4.78 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 1.27 0.00 0.00 116 H 9.28 4.81 0.00 2.99 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.64 4.20 1.15 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.39 0.52 0.00 0.00 118 E 8.98 4.49 0.00 1.98 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 2.32 2.24 0.00 119 L 7.97 4.31 0.00 1.48 1.34 0.91 0.70 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 0.00 120 T 8.63 4.71 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 1.25 0.00 0.00 121 T 8.14 4.72 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 1.35 0.00 0.00 122 E 8.69 4.14 0.00 1.99 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 2.31 2.36 0.00 123 G 8.07 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 0.00 0.00 0.00 124 D 8.09 4.80 0.00 2.63 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 0.00 125 T 6.55 4.78 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 1.28 0.00 0.00 126 W 9.00 5.39 0.00 3.30 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 0.00 127 F 9.24 4.26 0.00 3.06 3.11 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 0.00 128 P 0.00 4.31 0.00 2.04 1.98 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 2.19 0.00 129 D 8.52 4.59 0.00 2.73 2.58 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 0.00 130 Y 8.32 4.89 0.00 3.42 3.41 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 0.00 131 E 7.24 4.09 0.00 2.07 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 2.18 2.11 0.00 132 Q 7.60 4.01 0.00 1.74 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 133 Y 8.02 4.80 0.00 2.91 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 0.00 134 N 8.22 5.04 0.00 2.53 2.70 0.00 0.00 6.55 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 0.00 135 W 8.77 5.57 0.00 3.20 3.13 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 0.00 0.00 0.00 0.00 136 Q 9.45 4.78 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 137 E 8.66 4.64 0.00 1.99 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 2.43 2.27 0.00 138 I 8.75 4.18 1.92 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 1.30 0.66 0.91 0.00 0.00 139 E 7.87 4.93 0.00 2.02 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 2.29 2.41 0.00 140 H 8.44 5.55 0.00 3.21 3.37 0.00 5.47 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 0.00 141 E 9.44 4.55 0.00 2.03 1.57 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 2.23 2.44 0.00 142 S 8.48 4.99 0.00 3.60 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 0.00 143 Y 8.88 4.62 0.00 1.43 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 0.00 0.00 0.00 0.00 144 A 8.58 4.76 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 0.00 0.00 0.00 0.00 0.00 145 A 9.05 4.59 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 0.00 146 D 9.01 4.42 0.00 2.88 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 0.00 147 D 8.94 4.37 0.00 2.72 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 0.00 148 K 8.82 4.46 0.00 1.66 1.85 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 149 N 7.81 4.83 0.00 2.71 2.71 0.00 0.00 6.59 7.91 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 0.00 150 P 0.00 4.51 0.00 1.94 2.11 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 2.10 0.00 151 H 7.68 5.15 0.00 3.09 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.77 4.92 0.00 2.85 2.72 0.00 0.00 6.43 7.48 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 0.00 153 Y 8.27 5.28 0.00 3.10 2.95 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 0.00 154 R 9.24 5.06 0.00 1.84 1.80 0.00 3.02 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 155 F 9.56 5.03 0.00 3.43 3.15 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 0.00 156 S 7.97 4.55 0.00 3.74 3.36 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 0.00 157 L 8.28 4.61 0.00 1.57 1.37 0.08 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.34 4.97 0.00 1.19 1.55 0.41 0.63 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 0.00 159 E 9.61 5.34 0.00 2.02 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 2.24 2.42 0.00 160 R 9.07 3.69 0.00 1.21 1.58 0.00 2.35 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 161 V 7.95 4.00 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 0.76 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.