NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1658 8.1727 122.0553 56.3298 34.0131 174.0733 2 V 4.4313 8.3401 128.0869 61.2091 31.6664 174.5758 3 F 4.4248 9.4578 128.2842 57.0938 40.1565 175.7916 4 G 3.7307 9.1104 109.4799 46.0298 0.0000 174.2294 5 R 3.2996 8.9899 121.4856 60.0045 29.8810 179.6903 6 C 4.2831 8.0476 115.2877 59.5649 39.1438 175.4706 7 E 3.9141 8.1742 120.7323 59.4222 29.2530 178.6329 8 L 3.4803 8.2223 120.3696 57.6320 41.9792 178.4735 9 A 3.8804 8.0578 120.8341 55.1662 18.3219 179.3259 10 A 3.8935 8.2792 119.2133 55.3287 18.4763 179.8123 11 A 3.9047 7.8748 119.0960 55.5302 18.5314 179.6981 12 M 3.7908 8.2712 117.6102 58.3156 31.9169 178.8506 13 K 3.8483 8.3232 120.3095 59.5602 32.1726 179.0151 14 R 3.8862 7.7961 114.9045 59.2047 29.2486 177.4630 15 H 4.6592 7.7707 114.7347 55.1368 28.7304 175.4764 16 G 3.8562 8.0162 108.7415 46.5166 0.0000 175.1279 17 L 3.8256 7.5131 121.1806 55.2343 42.1497 176.4004 18 D 4.6482 7.9870 118.1939 55.6207 41.3392 175.2604 19 N 4.3687 9.7524 123.1114 53.8737 37.0159 173.3511 20 Y 4.2692 8.4519 121.4047 59.1113 39.0914 176.3985 21 R 3.7523 9.0599 126.1957 57.3186 27.9286 177.2362 22 G 3.7831 8.2985 103.5886 45.7518 0.0000 173.5810 23 Y 4.4398 8.3059 119.4230 55.9244 38.9908 175.7820 24 S 4.8128 8.5732 119.7179 57.8374 64.2046 174.7095 25 L 4.3124 9.1919 124.0287 58.8637 41.6071 179.9429 26 G 3.8506 8.2711 104.6966 47.5517 0.0000 175.3093 27 N 4.5012 8.3708 119.0587 56.2616 38.5443 177.4678 28 W 3.9606 7.9466 119.8648 59.5944 29.1773 178.6969 29 V 3.5908 8.0935 118.4023 65.8515 30.9507 177.3231 30 C 2.5848 8.1515 118.2176 58.9409 41.7820 175.2441 31 A 3.8929 7.9354 122.1388 55.3050 17.9606 179.4914 32 A 4.1158 7.7250 120.4502 54.4109 18.4057 179.6527 33 K 2.4800 7.6611 118.1232 59.2926 31.8705 178.7882 34 F 4.5560 7.1747 115.4263 59.3868 39.0791 177.6083 35 E 4.3017 8.3635 118.8437 58.5881 29.8145 177.6731 36 S 4.5190 7.9141 108.8336 56.7306 65.1426 173.3745 37 N 3.7562 8.7255 118.3088 54.7923 37.7098 173.9116 38 F 4.0490 7.9639 110.1117 58.0383 36.6526 173.9848 39 N 5.2957 7.9275 120.8527 52.0412 39.1641 175.5497 40 T 4.0756 9.0373 118.2164 64.5494 69.6640 175.5249 41 Q 4.5430 8.6628 119.0625 55.6561 29.5585 176.1951 42 A 4.2780 8.0844 123.4385 52.5831 19.3447 177.1167 43 T 5.0145 8.3499 111.3617 60.1478 72.3823 173.2856 44 N 4.8948 8.4996 120.3586 52.0696 43.3469 173.7871 45 R 4.5232 8.6306 124.4213 56.1076 31.3536 175.2237 46 N 5.0130 9.1911 123.0849 51.7025 40.6228 176.2815 47 T 3.9293 8.6946 111.5872 64.9985 68.7094 174.8046 48 D 4.5049 8.0094 118.2333 53.6674 39.4352 176.9534 49 G 3.9356 8.5999 110.0004 45.1924 0.0000 173.9143 50 S 4.7292 8.3482 115.1443 57.9510 65.5072 173.0861 51 T 5.0097 9.0642 115.7086 61.9187 72.7223 172.9775 52 D 5.4091 8.9563 124.2761 53.1789 43.3948 175.1978 53 Y 4.9519 8.9823 119.7869 57.5936 42.1197 176.9313 54 G 4.6312 9.8140 111.8397 46.3120 0.0000 173.6201 55 I 4.1941 8.2904 109.8301 62.7108 37.5923 177.1922 56 L 4.5742 7.8354 118.1488 53.5391 42.5492 176.2511 57 Q 3.6143 7.9894 115.9488 57.1510 26.8245 174.3834 58 I 4.3052 7.9831 118.8432 61.1638 38.8148 177.1919 59 N 5.6567 9.0574 124.2122 51.9649 39.5910 175.5304 60 S 4.9196 8.7574 113.9247 58.8470 63.6816 175.1714 61 R 4.1187 8.2989 122.3731 59.0642 30.5975 177.6286 62 W 4.0272 8.3199 117.1946 56.7960 31.4791 177.7344 63 W 5.0171 8.2340 118.9285 57.5834 30.9092 173.9026 64 C 5.6263 8.1898 112.1113 53.6020 45.6643 172.2931 65 N 5.0338 8.9935 118.9751 51.9771 39.9490 174.7392 66 D 4.8223 8.6400 123.8459 52.3133 40.1961 176.3598 67 G 3.9891 8.6058 106.6461 46.5590 0.0000 174.5191 68 R 4.6015 8.4943 113.2234 55.7900 30.4864 175.5047 69 T 4.4490 7.7079 116.4306 61.3628 68.9498 171.6081 70 P 4.4512 0.0000 0.0000 63.6697 31.9190 177.6291 71 G 3.8709 8.7864 109.7835 44.9855 0.0000 173.7140 72 S 4.2791 7.4366 113.9836 59.1392 62.6454 174.1131 73 R 4.1371 8.0286 123.4139 55.2398 32.4350 175.6991 74 N 4.1339 7.9917 116.1660 54.6121 36.9977 174.7991 75 L 4.1707 8.3927 118.7419 57.4043 42.4062 178.1753 76 C 4.5924 8.7969 114.7725 56.3046 41.1739 172.9299 77 N 4.1948 7.9342 116.8907 53.4785 35.9315 173.5989 78 I 4.6302 8.2836 111.0498 58.4543 41.5828 173.4088 79 P 4.7256 0.0000 0.0000 62.7703 32.0447 178.2254 80 C 4.0662 8.8420 119.1027 59.9046 41.0158 176.5636 81 S 3.8862 8.0031 115.2607 61.3836 61.7722 176.3011 82 A 4.0355 7.9623 124.2167 54.7337 17.9440 178.7467 83 L 4.2802 8.0568 116.0646 55.9244 41.5969 177.9664 84 L 4.9550 7.5840 118.0108 54.3963 42.4731 176.6148 85 S 4.4534 7.4722 113.4176 57.5919 62.9492 174.2267 86 S 4.2045 8.4633 118.1969 60.6015 63.1275 173.8690 87 D 4.5887 7.9205 121.5457 53.5437 40.7272 176.0560 88 I 4.1623 8.4053 120.2617 61.4578 37.8148 177.1501 89 T 3.5493 8.1494 119.3094 67.2122 68.3612 175.9347 90 A 3.9369 7.8788 121.6407 55.1769 18.4087 179.6023 91 S 4.0386 7.9427 113.1384 61.7177 62.9813 176.9487 92 V 3.2692 7.7877 120.9790 66.1326 30.7484 177.8899 93 N 4.1785 8.1237 116.1776 56.1693 38.2729 176.7250 94 C 4.2148 8.2347 119.9174 59.5635 44.5774 175.4218 95 A 4.0229 8.2724 122.7486 55.1404 17.6494 179.7333 96 K 3.5159 7.5799 116.4037 59.2764 32.0986 179.4527 97 K 4.1760 7.5067 118.0051 59.4110 31.9959 179.4668 98 I 3.0510 7.3186 120.2189 64.1013 36.4984 178.8446 99 V 3.9598 8.1817 119.2269 63.9807 30.9997 177.5211 100 S 4.6330 7.7756 115.2160 59.3561 62.8189 175.3785 101 D 4.5973 8.1425 121.5579 55.9519 41.0420 176.8344 102 G 4.4254 6.4197 112.8825 46.4254 0.0000 172.8008 103 N 4.7174 7.8380 117.5653 52.1918 39.8645 175.4401 104 G 3.9053 7.8263 105.0800 45.7952 0.0000 175.4186 105 M 4.1645 7.5986 121.0054 56.0119 31.7728 177.8865 106 N 4.8164 7.9762 116.8504 55.5677 38.9338 176.0378 107 A 3.7716 7.4066 121.1786 54.3705 18.6037 177.9190 108 W 4.5891 8.2377 116.6771 55.3310 30.0807 177.3467 109 V 3.6933 8.5026 124.5873 66.0113 31.0551 177.6507 110 A 4.1313 7.9507 120.2912 54.5721 18.1345 179.4641 111 W 3.9510 8.2951 126.5887 60.6420 30.7183 177.8808 112 R 3.4440 8.1116 117.1235 59.5362 29.6672 177.7958 113 N 4.4968 8.3818 114.0459 54.6677 38.8087 176.0453 114 R 4.3796 7.7193 116.2888 55.3928 32.7300 175.3385 115 C 4.7319 7.6417 113.9713 57.6891 42.3656 174.2536 116 K 3.1976 6.9006 120.5385 57.7916 31.6739 176.8689 117 G 3.8788 8.9072 114.6012 45.4505 0.0000 173.0656 118 T 4.3883 7.4180 109.7235 60.0675 70.8577 175.6327 119 D 4.6867 8.1543 121.1852 53.8348 39.2496 176.6024 120 V 4.2469 7.8759 115.9338 62.9405 32.6160 178.3804 121 Q 4.1006 8.3687 120.5018 58.8645 28.8150 177.4194 122 A 3.9147 7.8525 121.7545 55.1206 18.0272 179.4991 123 W 4.3489 7.9919 116.3762 58.6689 29.3610 176.9702 124 I 4.4127 7.9268 111.5060 59.9498 37.6444 175.2813 125 R 4.0293 7.5959 121.8205 58.4418 30.0419 177.0438 126 G 4.0111 8.8646 112.0782 45.8666 0.0000 174.1985 127 C 4.4476 7.8758 117.5876 56.2703 40.9022 173.7971 128 R 4.0240 8.4930 125.8825 56.2196 29.4180 177.2876 *129 L 4.1429 8.3707 122.4023 54.3962 41.6097 173.5206 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 K 8.17 4.17 0.00 1.77 1.68 0.00 1.31 0.00 0.00 0.85 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.20 7.81 2 V 8.34 4.43 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 0.92 0.00 0.00 0.97 0.00 0.00 3 F 9.46 4.42 0.00 3.08 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 4 G 9.11 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 5 R 8.99 3.30 0.00 2.06 2.01 0.00 3.65 0.00 0.00 3.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.98 0.00 6 C 8.05 4.28 0.00 3.01 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 7 E 8.17 3.91 0.00 2.07 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 0.00 2.70 2.45 0.00 8 L 8.22 3.48 0.00 1.23 1.22 -0.03 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.06 3.88 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 10 A 8.28 3.89 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 11 A 7.87 3.90 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 12 M 8.27 3.79 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 13 K 8.32 3.85 0.00 1.83 1.96 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.80 3.89 0.00 1.94 2.16 0.00 2.89 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 15 H 7.77 4.66 0.00 3.23 3.17 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.02 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 17 L 7.51 3.83 0.00 1.22 0.35 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.99 4.65 0.00 2.64 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 19 N 9.75 4.37 0.00 2.99 2.95 0.00 0.00 6.20 7.09 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 20 Y 8.45 4.27 0.00 3.21 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 21 R 9.06 3.75 0.00 2.31 2.14 0.00 3.49 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.74 0.00 22 G 8.30 3.78 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 0.00 0.00 0.00 23 Y 8.31 4.44 0.00 3.22 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.57 4.81 0.00 4.10 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 25 L 9.19 4.31 0.00 2.11 1.84 1.01 1.05 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 26 G 8.27 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 0.00 0.00 0.00 27 N 8.37 4.50 0.00 2.83 2.65 0.00 0.00 6.87 7.29 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 28 W 7.95 3.96 0.00 3.45 3.03 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 29 V 8.09 3.59 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 1.12 0.00 0.00 1.00 0.00 0.00 30 C 8.15 2.58 0.00 2.46 3.09 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 0.00 31 A 7.94 3.89 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 32 A 7.73 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.66 2.48 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.88 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.17 4.56 0.00 3.03 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 35 E 8.36 4.30 0.00 2.06 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 0.00 2.56 2.46 0.00 36 S 7.91 4.52 0.00 4.12 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 37 N 8.73 3.76 0.00 2.74 2.82 0.00 0.00 7.18 6.83 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 38 F 7.96 4.05 0.00 3.36 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 39 N 7.93 5.30 0.00 2.87 2.91 0.00 0.00 6.98 7.35 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 40 T 9.04 4.08 4.45 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 1.59 0.00 0.00 41 Q 8.66 4.54 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 42 A 8.08 4.28 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 43 T 8.35 5.01 3.96 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 1.31 0.00 0.00 44 N 8.50 4.89 0.00 2.78 2.67 0.00 0.00 6.65 7.82 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 45 R 8.63 4.52 0.00 1.77 1.79 0.00 3.28 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 46 N 9.19 5.01 0.00 2.88 2.71 0.00 0.00 6.67 6.95 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 47 T 8.69 3.93 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 1.21 0.00 0.00 48 D 8.01 4.50 0.00 2.82 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 49 G 8.60 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 50 S 8.35 4.73 0.00 4.00 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 0.00 51 T 9.06 5.01 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 0.67 0.00 0.00 52 D 8.96 5.41 0.00 2.67 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 53 Y 8.98 4.95 0.00 3.01 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 54 G 9.81 4.63 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 0.00 0.00 0.00 55 I 8.29 4.19 1.85 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.77 0.99 0.00 0.00 56 L 7.84 4.57 0.00 1.70 1.73 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.99 3.61 0.00 2.43 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 58 I 7.98 4.31 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 1.03 0.00 0.00 59 N 9.06 5.66 0.00 2.89 3.29 0.00 0.00 6.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.76 4.92 0.00 4.05 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 0.00 61 R 8.30 4.12 0.00 2.09 2.15 0.00 3.20 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.23 0.00 62 W 8.32 4.03 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.23 5.02 0.00 3.54 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 64 C 8.19 5.63 0.00 3.03 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 65 N 8.99 5.03 0.00 2.83 2.69 0.00 0.00 7.11 9.06 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 66 D 8.64 4.82 0.00 2.79 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 67 G 8.61 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 68 R 8.49 4.60 0.00 1.91 1.97 0.00 3.05 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 69 T 7.71 4.45 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 1.26 0.00 0.00 70 P 0.00 4.45 0.00 2.03 1.98 0.00 3.71 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 2.03 2.09 0.00 71 G 8.79 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 0.00 0.00 0.00 0.00 72 S 7.44 4.28 0.00 3.99 3.77 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 0.00 0.00 0.00 73 R 8.03 4.14 0.00 1.78 1.58 0.00 3.47 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 74 N 7.99 4.13 0.00 2.84 2.72 0.00 0.00 7.24 6.66 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 75 L 8.39 4.17 0.00 1.88 1.94 0.43 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 76 C 8.80 4.59 0.00 3.20 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 77 N 7.93 4.19 0.00 2.88 2.86 0.00 0.00 6.71 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 78 I 8.28 4.63 1.86 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 1.48 0.90 0.96 0.00 0.00 79 P 0.00 4.73 0.00 2.18 2.18 0.00 3.68 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 2.04 1.96 0.00 80 C 8.84 4.07 0.00 2.09 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 81 S 8.00 3.89 0.00 4.04 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 82 A 7.96 4.04 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 83 L 8.06 4.28 0.00 1.93 1.81 1.02 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 84 L 7.58 4.95 0.00 1.79 1.75 1.10 0.94 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 85 S 7.47 4.45 0.00 3.87 3.96 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 86 S 8.46 4.20 0.00 3.96 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 87 D 7.92 4.59 0.00 2.71 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 88 I 8.41 4.16 1.74 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.62 0.92 0.00 0.00 89 T 8.15 3.55 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 1.17 0.00 0.00 90 A 7.88 3.94 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 91 S 7.94 4.04 0.00 3.97 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 92 V 7.79 3.27 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 0.67 0.00 0.00 0.65 0.00 0.00 93 N 8.12 4.18 0.00 2.73 2.78 0.00 0.00 6.73 7.21 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 94 C 8.23 4.21 0.00 3.11 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 95 A 8.27 4.02 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 96 K 7.58 3.52 0.00 1.70 1.52 0.00 1.38 0.00 0.00 1.19 0.00 0.00 2.45 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 1.15 7.81 97 K 7.51 4.18 0.00 1.93 1.79 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.62 7.81 98 I 7.32 3.05 1.50 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.33 0.00 0.00 99 V 8.18 3.96 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 1.42 0.00 0.00 0.82 0.00 0.00 100 S 7.78 4.63 0.00 4.12 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 0.00 101 D 8.14 4.60 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 6.42 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 0.00 0.00 0.00 0.00 103 N 7.84 4.72 0.00 2.75 2.73 0.00 0.00 7.07 7.92 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 0.00 104 G 7.83 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 0.00 105 M 7.60 4.16 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.91 0.00 106 N 7.98 4.82 0.00 3.11 3.03 0.00 0.00 6.85 7.47 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 0.00 107 A 7.41 3.77 0.70 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 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.24 4.59 0.00 3.47 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 0.00 109 V 8.50 3.69 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 1.05 0.00 0.00 0.95 0.00 0.00 110 A 7.95 4.13 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 0.00 111 W 8.30 3.95 0.00 3.32 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 0.00 112 R 8.11 3.44 0.00 2.08 2.15 0.00 3.33 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 113 N 8.38 4.50 0.00 2.71 2.76 0.00 0.00 6.88 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.72 4.38 0.00 1.61 1.11 0.00 2.86 0.00 0.00 2.81 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.44 0.00 115 C 7.64 4.73 0.00 2.47 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 0.00 116 K 6.90 3.20 0.00 0.79 1.24 0.00 1.76 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.21 1.05 7.81 117 G 8.91 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 0.00 118 T 7.42 4.39 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 0.00 119 D 8.15 4.69 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.88 4.25 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 0.84 0.00 0.00 1.08 0.00 0.00 121 Q 8.37 4.10 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 122 A 7.85 3.91 1.08 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 0.00 123 W 7.99 4.35 0.00 3.58 3.34 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 0.00 124 I 7.93 4.41 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 1.02 0.00 0.00 125 R 7.60 4.03 0.00 1.78 2.05 0.00 3.25 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 126 G 8.86 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 0.00 127 C 7.88 4.45 0.00 3.08 3.03 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 0.00 128 R 8.49 4.02 0.00 1.80 1.90 0.00 3.24 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 *129 L 8.37 4.14 0.00 1.42 1.49 0.94 0.81 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 * Residues marked with a * may have inaccurate shift predictions.