NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9675 8.1545 120.3087 61.7190 32.7392 175.0630 *2 H 4.7745 8.4481 119.3094 52.3914 29.9284 171.8444 3 F 4.8901 8.4851 121.7919 55.3596 42.2264 176.1103 4 T 4.3716 8.4878 115.2149 60.8331 71.1490 176.0054 5 A 4.0364 8.3950 122.9559 55.3720 18.3035 179.8397 6 E 3.9820 8.1157 116.6992 59.3147 29.5172 179.2039 7 E 4.0304 7.9470 118.9500 59.2913 29.7830 179.3850 8 K 3.8742 8.2032 118.2338 58.9211 31.9231 179.4158 9 A 3.9099 7.7979 121.2001 55.1419 18.5524 179.2824 10 A 3.9651 7.7233 118.9482 55.4010 18.5112 180.1042 11 V 3.3148 7.4378 116.0614 66.5412 31.0983 178.5864 12 T 4.0733 7.7370 114.8954 66.4468 67.9520 177.0451 13 S 4.2283 8.1285 116.9405 61.5768 63.2677 176.2353 14 L 4.0844 7.8298 120.3472 57.1724 41.6470 179.0341 15 W 4.5129 8.5602 128.1701 60.7424 30.3081 178.2608 16 S 4.3161 7.8728 113.5793 61.0343 62.3533 175.7330 17 K 4.4548 7.6860 117.9833 55.5382 32.3828 176.1742 18 M 4.5902 6.7508 115.8317 53.2080 33.4714 176.7920 19 N 4.5571 8.1451 119.8648 52.9497 36.7323 175.4612 20 V 3.4725 7.6812 122.1073 63.9803 31.2017 178.3593 21 E 4.0914 7.7060 123.3601 59.6811 29.3572 179.1791 22 E 4.0764 8.7048 118.8767 60.8657 29.8053 181.0318 23 A 4.4632 8.2252 119.5094 54.4345 18.4175 180.0480 24 G 3.6524 7.6471 105.2550 48.0152 0.0000 176.4765 25 G 3.7249 8.0308 108.1210 46.7426 0.0000 175.4937 26 E 3.9492 7.7900 119.9695 59.2291 29.4686 179.1692 27 A 3.9258 7.6613 120.2693 55.1780 18.5967 179.4424 28 L 4.0030 7.9169 118.8849 58.0623 42.0639 179.4141 29 G 3.5396 8.1382 105.6739 48.0066 0.0000 175.9392 30 R 3.9037 7.8098 120.6243 58.4808 29.9429 178.9624 31 L 4.0096 7.9508 120.2021 58.3424 41.9498 179.1792 32 L 3.9523 7.5678 117.3520 57.4467 41.5228 179.4855 33 V 3.6772 7.3555 117.6519 65.9139 31.6697 178.0419 34 V 3.5851 7.6496 116.9207 64.2141 32.7096 175.5061 35 Y 4.0523 7.3322 116.7552 53.8994 38.0061 173.7241 36 P 4.2965 0.0000 0.0000 65.3866 31.6810 177.5453 37 W 4.4097 8.1315 114.5045 59.1377 27.8987 177.7373 38 T 4.4088 7.4637 110.4941 63.9949 68.2437 176.2980 39 Q 4.2536 8.2964 121.2949 58.3879 28.4305 178.1295 40 R 3.7441 7.4495 119.7627 59.2013 30.0602 177.9943 41 F 4.2853 7.5269 116.3153 58.8413 39.0703 176.8309 42 F 4.3717 7.2624 116.6924 57.0015 39.4612 176.7488 43 D 4.3869 8.1656 121.4889 57.6809 40.5881 178.3126 44 S 4.4671 8.0459 111.7981 60.5239 63.3469 175.0703 45 F 4.4890 8.4897 119.8514 58.6947 39.7813 175.4155 46 G 4.0409 7.3178 103.7257 43.9794 0.0000 176.0946 47 N 4.5491 8.8136 127.5059 53.4653 38.2455 174.1308 48 L 4.9397 8.2094 127.7323 54.4987 43.0949 178.4754 49 S 4.3338 8.3249 116.0514 60.5893 63.7308 174.3712 50 S 4.7060 7.5965 114.2089 55.0335 67.2519 172.7681 51 P 4.3360 0.0000 0.0000 65.9306 30.9980 179.2696 52 S 4.0976 7.9777 113.2800 61.4862 63.0465 176.3613 53 A 4.0350 7.9889 123.5284 55.0438 17.8596 179.8608 54 I 3.6801 8.0151 117.8711 64.6897 37.3547 178.5377 55 L 4.2231 7.8063 118.4187 57.2971 41.4874 179.2018 56 G 3.8253 7.9791 104.3676 45.0644 0.0000 173.6907 57 N 4.3693 7.5115 120.6617 53.2886 39.6534 173.8150 58 P 4.3426 0.0000 0.0000 66.1972 31.5657 179.4432 59 K 3.9123 8.4133 122.2927 58.8848 31.4978 181.8126 60 V 4.0430 7.9717 119.4568 67.1297 31.7506 178.7198 61 K 4.0111 7.7630 122.4433 59.5673 31.6132 180.7425 62 A 4.1611 7.9208 121.8549 55.5205 18.4461 179.3985 63 H 4.4475 8.3485 116.6229 58.9807 29.8979 177.6871 64 G 3.6629 8.2352 108.0352 47.7133 0.0000 175.7432 65 K 4.0317 7.9702 120.5440 59.1815 32.1731 179.5365 66 K 4.0200 7.7290 117.3491 59.4090 31.7449 179.6145 67 V 3.6564 7.5543 117.2824 66.0219 31.8911 177.4241 68 L 4.5160 8.2593 120.1167 58.6214 41.8744 179.0962 69 T 4.1519 8.2646 115.9406 66.7525 68.3039 176.6615 70 S 4.3883 7.9368 113.7477 60.7649 63.0754 175.8846 71 F 4.4578 8.2880 121.7622 60.1463 38.2906 177.9420 72 G 3.2610 8.2757 105.5285 47.5226 0.0000 175.5354 73 D 4.3720 8.0107 119.5154 56.7085 41.1208 178.1524 74 A 4.2159 7.6433 121.8001 55.1869 18.2285 179.7081 75 I 3.4433 7.4950 119.2488 64.7954 37.2084 178.8944 76 K 4.2045 7.4619 122.3776 58.1127 31.5653 179.9244 77 N 5.2417 7.7854 115.5422 53.3153 39.5987 176.5135 78 M 3.8147 8.2983 120.1671 58.7115 32.3271 178.1339 79 D 4.3959 8.0989 117.3222 56.4951 41.1414 175.7263 80 N 4.8243 7.6320 118.2024 51.8084 39.8407 173.3327 81 L 4.3722 8.5437 127.6476 57.3703 42.7181 179.9699 82 K 3.9336 8.3339 119.7364 57.3809 31.5566 178.7249 83 P 4.1583 0.0000 0.0000 65.0605 31.5562 177.8008 84 A 3.9753 8.0063 120.8433 54.7699 18.4568 178.6013 85 F 4.6065 7.8152 112.7233 57.6714 39.0417 177.9597 86 A 4.1022 8.0367 126.3784 55.5119 18.0244 181.3123 87 K 4.0054 7.9199 122.2178 59.9546 31.9170 183.1006 88 L 4.3730 7.8775 119.7798 57.2718 41.6033 179.2413 89 S 4.2924 8.5453 116.1068 62.0625 62.1775 176.7648 90 E 4.1030 8.0679 121.1028 60.8257 29.5683 180.7735 91 L 4.1714 7.7823 121.2275 58.5666 42.2423 178.8917 92 H 4.4052 8.5914 115.8719 59.0525 28.5446 176.1362 93 C 3.7264 8.2572 121.5361 61.4955 31.1184 174.8873 94 D 4.3017 8.2242 126.1081 57.0390 40.9837 178.8062 95 K 4.2101 7.8480 119.6180 56.3278 32.3842 180.9062 96 L 4.4151 7.6151 117.6457 54.2153 43.2463 176.1344 97 H 3.9170 7.3977 113.8542 56.5734 25.9447 174.9982 98 V 4.0000 7.3988 118.1447 60.8970 33.1591 174.8133 99 D 4.5140 8.3752 126.5564 53.3440 41.9995 175.1183 100 P 3.5813 0.0000 0.0000 65.4170 31.3732 178.4038 101 E 3.9467 8.0740 118.2231 59.2282 29.5564 178.4258 102 N 4.5231 8.1365 116.4460 55.6011 38.7213 177.3853 103 F 4.5886 7.5265 119.8167 60.4430 38.9596 177.7710 104 K 4.1238 8.0924 117.8443 59.3200 31.9231 179.2290 105 L 3.9616 7.5471 118.4122 57.7488 41.5362 179.3491 106 L 4.2240 8.1036 120.1235 57.9351 41.9916 179.2632 107 G 3.7926 8.2093 105.5368 47.8736 0.0000 175.4584 108 N 4.4126 8.3795 119.1732 56.1710 38.7379 177.7156 109 V 3.6687 8.0642 119.5500 65.9695 31.6337 177.7163 110 M 3.8836 8.0985 118.0805 58.7254 32.1401 178.3627 111 V 3.4764 7.7585 118.2772 66.1241 31.5050 178.0374 112 I 3.7768 7.7263 119.4995 63.9600 36.9832 178.5515 113 I 3.5242 7.3633 120.7513 64.3125 36.9660 178.4284 114 L 3.7305 7.3357 119.0994 57.4389 41.2113 179.5052 115 A 3.7701 7.1031 120.7084 55.1167 18.0689 179.7715 116 T 3.8787 7.3113 107.5175 64.9278 68.9666 176.4455 117 H 4.1905 7.6829 118.0006 57.9161 29.1785 176.7855 118 F 4.6885 8.2694 117.6531 56.0110 39.8715 177.5580 119 G 3.7862 8.8097 111.0933 46.6231 0.0000 177.8869 120 K 3.9866 9.1520 126.9670 57.8906 31.4633 177.6995 121 E 4.2359 8.2508 112.9981 58.8034 30.1218 181.7900 122 F 4.6816 8.1251 121.6811 57.4990 37.8037 175.2380 123 T 4.1331 7.3595 115.6880 60.4958 71.3256 173.5289 124 P 4.1304 0.0000 0.0000 65.7066 31.1202 178.9219 125 E 3.9490 7.9745 117.1089 59.2812 29.5759 179.3413 126 V 3.7020 7.3534 118.5215 65.8781 31.5098 177.8600 127 Q 3.6846 7.9535 119.4959 59.0103 28.8905 177.9600 128 A 3.9723 8.0182 121.5727 55.1226 18.4077 179.5124 129 A 3.9379 7.6848 117.6481 55.3313 18.4697 180.0231 130 W 4.0981 8.3023 117.1920 59.8362 29.0465 178.9112 131 Q 4.1279 8.6393 118.4861 58.8761 28.0929 178.5627 132 K 3.8710 7.9715 120.2099 59.2826 32.1752 178.6334 133 L 4.2387 8.0502 120.4359 58.4000 42.2468 178.9581 134 V 3.8630 8.2520 118.4589 66.4379 31.4772 178.1882 135 S 4.1896 8.4771 114.6823 61.3471 62.5246 176.5335 136 A 3.9759 7.8325 123.4058 55.1269 18.1135 179.8639 137 V 3.0505 7.8491 116.5896 65.7925 31.2365 178.0809 138 A 3.8527 7.8127 120.4826 54.9575 18.1011 179.1431 139 I 3.6904 7.3463 108.1556 62.4622 38.0636 177.6090 140 A 4.0679 7.1724 122.6288 54.9807 18.4788 179.1642 141 L 3.8852 7.1810 115.3648 56.3791 41.3386 177.9473 142 A 3.8757 7.0223 123.0002 52.6538 19.3511 179.6869 *143 H 4.0023 7.8966 119.3134 59.1878 28.4059 180.2196 144 K 4.3032 7.9449 119.4944 58.5202 32.1567 176.7592 145 Y 4.4911 7.6422 120.3501 56.9920 37.9859 175.2487 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 V 8.15 3.97 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 0.84 0.00 0.00 0.69 0.00 0.00 *2 H 8.45 4.77 0.00 3.02 2.87 0.00 7.16 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.49 4.89 0.00 2.90 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 4 T 8.49 4.37 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 1.26 0.00 0.00 5 A 8.39 4.04 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 6 E 8.12 3.98 0.00 2.03 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 2.40 2.40 0.00 7 E 7.95 4.03 0.00 2.25 2.14 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 2.34 2.36 0.00 8 K 8.20 3.87 0.00 1.77 1.75 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.71 7.81 9 A 7.80 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.72 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 11 V 7.44 3.31 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 0.23 0.00 0.00 0.24 0.00 0.00 12 T 7.74 4.07 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 1.26 0.00 0.00 13 S 8.13 4.23 0.00 4.05 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 14 L 7.83 4.08 0.00 2.10 1.73 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.56 4.51 0.00 3.74 3.23 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 16 S 7.87 4.32 0.00 4.16 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 17 K 7.69 4.45 0.00 2.06 2.00 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.71 7.81 18 M 6.75 4.59 0.00 2.49 2.02 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 19 N 8.15 4.56 0.00 2.68 2.64 0.00 0.00 6.80 7.71 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 20 V 7.68 3.47 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 0.69 0.00 0.00 0.90 0.00 0.00 21 E 7.71 4.09 0.00 2.18 1.89 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 2.35 2.28 0.00 22 E 8.70 4.08 0.00 1.94 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 2.24 2.19 0.00 23 A 8.23 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 24 G 7.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.03 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 0.00 0.00 0.00 26 E 7.79 3.95 0.00 2.18 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 0.00 2.29 2.44 0.00 27 A 7.66 3.93 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 28 L 7.92 4.00 0.00 1.80 1.64 0.60 0.99 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 29 G 8.14 3.54 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 0.00 0.00 0.00 30 R 7.81 3.90 0.00 2.10 1.95 0.00 3.08 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 31 L 7.95 4.01 0.00 1.83 1.86 1.07 0.63 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 32 L 7.57 3.95 0.00 1.77 1.69 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.36 3.68 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 0.72 0.00 0.00 0.94 0.00 0.00 34 V 7.65 3.59 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 0.72 0.00 0.00 35 Y 7.33 4.05 0.00 2.68 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 36 P 0.00 4.30 0.00 2.26 2.15 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 37 W 8.13 4.41 0.00 3.58 3.54 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 38 T 7.46 4.41 4.47 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 1.09 0.00 0.00 39 Q 8.30 4.25 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 40 R 7.45 3.74 0.00 1.58 1.50 0.00 3.10 0.00 0.00 2.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.44 0.00 41 F 7.53 4.29 0.00 2.37 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 42 F 7.26 4.37 0.00 2.76 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 0.00 0.00 0.00 0.00 43 D 8.17 4.39 0.00 2.80 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 44 S 8.05 4.47 0.00 4.17 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 45 F 8.49 4.49 0.00 3.17 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 46 G 7.32 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 0.00 0.00 0.00 47 N 8.81 4.55 0.00 2.72 2.80 0.00 0.00 6.59 7.78 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 48 L 8.21 4.94 0.00 1.65 1.62 1.04 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.32 4.33 0.00 3.98 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 50 S 7.60 4.71 0.00 4.00 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 51 P 0.00 4.34 0.00 2.15 2.12 0.00 3.58 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 2.09 2.16 0.00 52 S 7.98 4.10 0.00 3.86 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 53 A 7.99 4.04 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 54 I 8.02 3.68 1.86 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 1.53 0.81 0.89 0.00 0.00 55 L 7.81 4.22 0.00 1.68 1.71 0.91 0.97 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 56 G 7.98 3.83 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 0.00 0.00 0.00 57 N 7.51 4.37 0.00 3.00 2.89 0.00 0.00 7.03 7.02 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 58 P 0.00 4.34 0.00 2.15 2.05 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 59 K 8.41 3.91 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 60 V 7.97 4.04 2.27 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 0.95 0.00 0.00 1.12 0.00 0.00 61 K 7.76 4.01 0.00 1.83 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.33 7.81 62 A 7.92 4.16 1.29 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 0.00 0.00 0.00 63 H 8.35 4.45 0.00 3.60 3.55 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.24 3.66 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 0.00 0.00 0.00 65 K 7.97 4.03 0.00 2.14 1.91 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.36 7.81 66 K 7.73 4.02 0.00 1.99 1.87 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 67 V 7.55 3.66 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 1.00 0.00 0.00 1.09 0.00 0.00 68 L 8.26 4.52 0.00 2.12 1.93 1.05 0.73 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 69 T 8.26 4.15 4.55 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 1.29 0.00 0.00 70 S 7.94 4.39 0.00 4.10 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 71 F 8.29 4.46 0.00 3.54 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 72 G 8.28 3.26 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 0.00 73 D 8.01 4.37 0.00 2.61 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 74 A 7.64 4.22 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.50 3.44 1.58 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.23 0.64 0.00 0.00 76 K 7.46 4.20 0.00 1.89 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 77 N 7.79 5.24 0.00 2.70 2.95 0.00 0.00 6.81 7.77 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 78 M 8.30 3.81 0.00 1.45 1.86 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 1.98 0.00 79 D 8.10 4.40 0.00 2.65 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 80 N 7.63 4.82 0.00 2.61 2.69 0.00 0.00 7.26 7.44 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 81 L 8.54 4.37 0.00 1.78 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.33 3.93 0.00 1.67 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.08 7.81 83 P 0.00 4.16 0.00 2.02 2.13 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 84 A 8.01 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 7.82 4.61 0.00 2.78 2.91 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 86 A 8.04 4.10 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 87 K 7.92 4.01 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.09 7.81 88 L 7.88 4.37 0.00 1.83 1.87 1.01 0.88 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 89 S 8.55 4.29 0.00 3.99 4.05 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 90 E 8.07 4.10 0.00 1.99 1.94 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 2.24 2.18 0.00 91 L 7.78 4.17 0.00 1.79 1.85 0.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.59 4.41 0.00 3.64 3.76 0.00 5.86 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 93 C 8.26 3.73 0.00 3.54 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 94 D 8.22 4.30 0.00 2.63 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 95 K 7.85 4.21 0.00 1.77 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.02 7.81 96 L 7.62 4.42 0.00 1.78 1.68 0.79 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.40 3.92 0.00 3.33 3.36 0.00 5.64 0.00 0.00 0.00 0.00 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.40 4.00 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 0.28 0.00 0.00 0.37 0.00 0.00 99 D 8.38 4.51 0.00 2.79 2.47 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 0.00 100 P 0.00 3.58 0.00 2.18 2.04 0.00 3.70 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 101 E 8.07 3.95 0.00 2.08 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 2.28 2.39 0.00 102 N 8.14 4.52 0.00 2.62 2.81 0.00 0.00 6.91 8.88 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 0.00 103 F 7.53 4.59 0.00 3.15 2.91 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 0.00 104 K 8.09 4.12 0.00 1.94 1.90 0.00 1.68 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.57 7.81 105 L 7.55 3.96 0.00 1.88 1.37 0.65 0.09 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 0.00 106 L 8.10 4.22 0.00 1.95 1.98 1.06 1.01 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 0.00 107 G 8.21 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.41 0.00 3.03 2.98 0.00 0.00 6.69 7.13 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 0.00 109 V 8.06 3.67 2.30 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 1.04 0.00 0.00 1.16 0.00 0.00 110 M 8.10 3.88 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.02 0.00 111 V 7.76 3.48 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 1.27 0.00 0.00 1.12 0.00 0.00 112 I 7.73 3.78 1.98 0.00 0.00 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 1.55 1.24 0.87 0.00 0.00 113 I 7.36 3.52 1.81 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 1.73 1.18 0.62 0.00 0.00 114 L 7.34 3.73 0.00 0.69 0.97 -0.56 0.22 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 0.00 115 A 7.10 3.77 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 0.00 116 T 7.31 3.88 4.17 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 1.18 0.00 0.00 117 H 7.68 4.19 0.00 2.64 2.51 0.00 5.83 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.27 4.69 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 0.00 119 G 8.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.15 3.99 0.00 1.79 1.76 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.02 7.81 121 E 8.25 4.24 0.00 2.00 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 2.26 2.12 0.00 122 F 8.13 4.68 0.00 3.01 3.21 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 0.00 123 T 7.36 4.13 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 1.30 0.00 0.00 124 P 0.00 4.13 0.00 2.14 2.11 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 125 E 7.97 3.95 0.00 2.02 1.97 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 2.38 2.40 0.00 126 V 7.35 3.70 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 1.17 0.00 0.00 0.92 0.00 0.00 127 Q 7.95 3.68 0.00 1.58 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 128 A 8.02 3.97 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 0.00 129 A 7.68 3.94 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 0.00 130 W 8.30 4.10 0.00 3.77 3.48 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 0.00 0.00 0.00 0.00 131 Q 8.64 4.13 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.74 2.58 0.00 132 K 7.97 3.87 0.00 1.92 1.90 0.00 1.40 0.00 0.00 1.15 0.00 0.00 2.26 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.90 1.22 7.81 133 L 8.05 4.24 0.00 1.81 1.82 0.76 0.26 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 0.00 134 V 8.25 3.86 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 1.08 0.00 0.00 1.28 0.00 0.00 135 S 8.48 4.19 0.00 4.06 3.90 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 0.00 136 A 7.83 3.98 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 0.00 137 V 7.85 3.05 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 0.05 0.00 0.00 0.92 0.00 0.00 138 A 7.81 3.85 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 0.00 139 I 7.35 3.69 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.58 0.91 0.00 0.00 140 A 7.17 4.07 1.15 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 0.00 0.00 141 L 7.18 3.89 0.00 0.85 0.65 0.12 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.02 3.88 1.15 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 0.00 0.00 *143 H 7.90 4.00 0.00 2.94 2.99 0.00 7.21 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.94 4.30 0.00 2.07 2.19 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.56 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.77 7.81 145 Y 7.64 4.49 0.00 2.87 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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.