NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.5861 8.0544 120.3363 62.2435 33.0153 174.5031 *2 H 4.3658 7.6191 118.2685 53.5944 30.1164 171.8721 3 W 4.9550 8.4276 128.2983 55.8122 30.9221 176.8716 4 T 4.4046 8.9848 114.6420 60.6894 70.9621 175.5859 5 A 4.0021 8.5193 123.9411 55.5072 18.3066 179.9724 6 E 3.9261 8.1392 116.3785 59.5935 29.5503 179.1744 7 E 3.9773 8.2304 118.3732 59.5835 29.5629 179.4265 8 K 3.6739 8.3096 120.7902 60.2326 32.0150 179.9281 *9 Q 3.9957 8.1513 120.6112 60.3457 27.7856 180.5346 10 L 4.2497 8.2398 121.4656 57.8474 41.6681 180.0202 11 I 3.6376 8.0037 119.7465 64.5692 37.1336 178.4536 12 T 4.0552 8.1469 116.7912 66.6941 68.1387 176.5476 13 G 3.8104 8.2059 106.4255 48.1274 0.0000 174.9292 14 L 3.9533 7.8164 123.0105 57.1725 42.0227 178.5957 15 W 4.6727 8.8223 128.5666 60.8400 30.4376 178.0698 16 G 3.7319 8.0873 103.8349 46.8805 0.0000 174.0067 17 K 4.4483 7.6344 117.9020 55.9532 32.7859 176.5251 18 V 3.7341 7.5370 120.6459 62.5227 31.9503 176.5228 19 N 4.4873 8.2414 125.6490 51.5021 37.6069 175.2710 20 V 3.4558 7.8398 125.2944 65.7962 31.8239 177.0679 21 A 3.9660 7.8815 119.5488 55.2229 18.1924 179.3270 22 E 3.9261 8.3173 117.0186 59.6358 29.5379 179.3331 23 C 4.0974 8.3619 117.2466 62.4605 28.1911 176.2863 24 G 3.6370 8.3258 107.3798 47.8449 0.0000 175.6390 25 A 4.0395 7.8560 122.8278 54.8456 18.2705 179.6599 26 E 3.8861 7.9764 116.8292 59.2758 29.4561 179.2183 27 A 3.9261 8.3058 121.2623 55.1583 18.5449 179.3335 28 L 3.8598 7.9898 118.2303 58.1323 42.2381 179.1058 29 A 3.9165 8.0818 120.5718 55.3911 18.3989 179.8273 30 R 3.7978 8.2134 116.8572 59.0578 29.9901 178.9110 31 L 3.9015 8.0610 120.2593 58.4517 41.8045 179.2496 32 L 3.9445 7.8855 118.5587 57.3442 41.2516 178.9905 33 I 3.9449 7.2678 117.2763 62.8792 38.2996 177.3835 34 V 3.6743 7.9100 118.5577 63.8095 32.8029 175.5475 35 Y 4.2130 7.3507 116.1334 53.7510 38.1721 173.5700 36 P 4.4104 0.0000 0.0000 64.5085 31.6264 177.5653 37 W 4.5982 8.3380 114.9297 59.7289 27.8946 177.9334 38 T 4.3247 7.7095 110.1560 64.1651 68.1851 176.4784 39 Q 4.2610 8.6018 122.3397 58.8133 28.4648 178.4821 40 R 3.9985 7.7317 116.2970 58.7040 29.3886 178.0920 41 F 4.2439 7.9820 116.3981 57.9051 39.4880 175.8345 42 F 4.5832 8.1645 118.5863 56.6606 39.9867 177.4948 43 A 4.0841 8.2692 126.4479 55.4075 18.3258 180.3690 44 S 4.5149 8.1067 106.8604 59.7458 62.9777 174.7855 45 F 4.6587 8.3902 120.1735 58.4367 40.5392 175.7279 46 G 4.0434 7.8821 105.3160 44.1076 0.0000 176.3894 47 N 4.7142 8.9451 125.1717 52.6257 38.8804 174.1682 48 L 4.9223 8.1583 128.5041 54.3706 43.0298 177.6506 49 S 4.4254 8.3618 114.5372 60.1106 64.0424 174.2875 50 S 4.6902 7.5615 115.1602 55.1590 66.9827 172.8367 51 P 4.3245 0.0000 0.0000 66.2928 30.8212 178.8901 52 T 3.7847 7.8280 114.7631 66.5446 68.5439 176.2853 53 A 4.0182 8.2053 122.8340 55.2077 18.1445 179.8043 54 I 3.6851 7.9655 117.7762 64.5830 37.2955 178.3639 55 L 4.2069 8.2023 119.1823 57.5290 41.5320 179.2767 56 G 3.8990 8.0340 103.8370 44.8735 0.0000 173.3933 57 N 4.3116 7.6771 120.8563 53.2734 39.4386 173.4011 58 P 4.2107 0.0000 0.0000 66.2230 31.3388 178.5202 59 M 3.7616 8.3301 117.3873 57.7275 31.6993 179.0205 60 V 3.6952 7.7763 118.0889 66.1250 31.7428 177.9222 61 R 3.8753 7.8774 117.4923 59.4973 29.9910 179.0374 62 A 4.0383 8.1492 120.1748 54.8883 18.2865 179.3032 63 H 4.4917 8.4982 117.6618 59.4013 30.0077 177.3953 64 G 3.7819 8.6185 107.9489 47.9902 0.0000 175.3613 65 K 3.9882 7.9026 121.8029 59.2489 32.1207 179.0813 66 K 4.0687 7.7059 117.4466 59.2483 31.8033 179.5189 67 V 3.6637 7.9060 118.5466 66.2487 31.6018 178.2430 68 L 4.4753 8.3880 118.7603 58.1182 41.1899 179.6265 69 T 4.1873 8.0452 115.5926 66.7054 68.5847 176.4438 70 S 4.8458 8.0433 117.2947 60.9861 63.0238 176.4467 71 F 4.0955 8.2842 121.6676 60.3759 38.2959 177.8241 72 G 3.1753 8.1503 105.1780 47.6528 0.0000 175.5039 73 D 4.3581 8.3551 121.1106 56.9880 40.5210 178.6428 74 A 4.0700 7.7695 120.4593 55.0105 18.5953 179.3324 75 V 3.2701 7.4012 115.9043 64.5514 32.1962 176.5434 76 K 4.5120 7.0945 119.4420 55.5755 32.3686 176.0578 77 N 4.6294 7.7185 112.9765 52.1949 40.6376 178.3441 78 L 3.4982 8.0789 121.9433 58.8164 41.5587 178.2471 79 D 4.7583 7.8759 115.7263 55.1831 41.4512 175.6223 80 N 5.1282 8.5999 119.0700 52.6013 39.7163 176.3430 81 I 3.8724 8.1727 123.0533 64.9374 37.3877 178.1248 82 K 3.8767 8.1163 122.6568 60.3687 31.5637 179.8675 83 N 4.6925 8.2075 117.1005 56.5241 38.2618 177.5957 84 T 4.0432 7.5958 115.8964 65.6827 68.3379 175.8187 85 F 4.5993 8.2152 118.0277 57.1433 39.3676 177.6464 86 S 4.0360 7.8322 117.1445 62.4352 62.6698 176.8528 87 Q 4.0187 8.0554 124.5426 59.6942 27.8311 181.0293 88 L 4.2485 7.3771 121.3130 57.3086 41.4511 179.7851 89 S 4.2370 7.9623 114.6010 60.9067 62.4285 175.7005 90 E 3.9615 8.2472 120.7837 59.4900 29.1438 178.9111 91 L 3.8952 7.9392 119.8418 58.8406 42.2094 178.9064 92 H 4.2561 8.5205 115.9666 58.5301 28.3953 177.3986 93 C 4.2881 8.5421 118.7505 62.5601 28.3087 175.5614 94 D 4.4521 8.2961 119.6979 57.0619 41.0650 178.0367 95 K 4.0407 8.0438 119.8133 59.0359 32.4718 177.7925 96 L 4.4586 8.0780 116.6911 54.3014 42.7463 176.0744 97 H 4.2144 7.6663 114.2676 56.6787 26.4852 175.2389 98 V 3.6406 8.3870 119.9774 61.9025 31.7814 175.0985 99 D 4.3119 8.5415 127.3663 53.6485 41.8611 175.1327 100 P 3.4452 0.0000 0.0000 65.4676 31.3430 178.2838 101 E 3.9498 8.3979 118.0745 59.3853 29.3827 178.7322 102 N 4.4176 7.9936 116.6394 55.9205 38.5249 177.3291 103 F 4.5378 7.5792 119.4171 60.8039 39.0761 177.6400 104 R 4.0438 8.1556 117.7507 59.4654 30.0519 178.3134 105 L 4.0576 7.8704 118.6882 57.6891 41.5028 179.2924 106 L 4.2284 8.3264 120.5530 57.9818 42.0766 179.1650 107 G 3.7818 8.3362 105.8150 48.0449 0.0000 175.2914 108 D 4.5027 8.3547 121.5062 57.2168 40.7956 179.0910 109 I 3.7390 7.8151 119.8272 64.2353 37.0325 178.0840 110 L 3.8374 8.3232 121.6101 58.2740 41.8256 179.0897 111 I 3.6551 7.8948 119.5579 64.6142 37.2023 178.5654 112 I 3.7529 7.6606 120.3406 63.9498 36.9096 178.8416 113 V 3.4647 7.7542 119.4727 66.0228 31.3660 178.0252 114 L 3.7901 7.7698 118.7041 57.7004 41.2704 179.5170 115 A 3.6399 7.3537 120.3948 54.8290 18.0959 179.4299 116 A 4.0237 7.6640 117.5505 54.5746 18.5908 178.5634 117 H 4.3403 7.6532 112.3358 56.0816 29.6500 175.5947 118 F 4.7458 7.7904 117.0771 55.9053 41.9923 176.3305 119 S 3.5631 7.9002 116.6853 58.5449 63.1411 175.2535 120 K 4.0133 8.9927 115.4781 59.3679 31.6120 177.5085 121 D 4.5266 8.1947 117.5519 56.5514 40.9507 176.9592 122 F 4.5911 8.4740 123.3402 56.9538 37.8604 175.5850 123 T 4.1675 7.5231 115.9150 60.1678 71.2085 173.4591 124 P 4.2020 0.0000 0.0000 65.9017 31.3539 178.8824 125 E 3.9412 8.0079 116.9844 59.2838 29.4343 178.7558 126 C 4.0847 7.6338 118.6068 62.3354 31.6561 175.2537 127 Q 3.4686 8.0557 121.1881 59.1200 28.4891 178.1692 128 A 4.0700 8.1112 121.5099 55.2301 18.4381 179.5185 129 A 4.0544 8.0266 119.0680 55.0529 18.4052 180.0021 130 W 3.8418 8.5262 117.6344 59.8675 29.2505 178.6102 131 Q 4.1956 8.9200 119.9512 58.9044 28.3003 178.4812 132 K 3.8927 8.0088 120.7569 59.2498 32.2497 178.4283 133 L 4.1967 7.9021 120.5296 58.3471 41.9721 179.0309 134 V 3.8241 8.3425 118.4478 66.1807 31.4827 177.9154 135 R 3.8789 8.0081 118.2925 59.4554 29.9234 178.6280 136 V 3.4980 8.0388 118.2862 66.0219 31.5730 178.2268 137 V 3.1059 8.0132 117.9148 65.5789 31.1027 177.9230 138 A 3.9338 8.0940 120.7491 55.4387 18.0158 179.3520 139 H 4.2470 8.1169 113.6432 58.6843 28.8346 177.5921 140 A 4.1037 7.6618 122.1328 54.7988 18.5205 179.2088 141 L 4.0662 7.8431 116.9627 56.3193 41.6524 177.4613 142 A 4.8013 7.5717 122.9513 52.8930 20.3554 179.0351 143 R 4.0018 7.6232 124.1252 60.0769 30.3720 179.9050 *144 K 4.1936 7.9005 122.5566 54.8507 32.4047 178.3707 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 8.05 3.59 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 0.92 0.00 0.00 0.82 0.00 0.00 *2 H 7.62 4.37 0.00 3.11 2.81 0.00 7.33 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.43 4.96 0.00 3.29 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 4 T 8.98 4.40 4.38 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 1.29 0.00 0.00 5 A 8.52 4.00 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 6 E 8.14 3.93 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 7 E 8.23 3.98 0.00 2.42 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 0.00 2.44 2.43 0.00 8 K 8.31 3.67 0.00 1.88 1.74 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.19 1.66 7.81 *9 Q 8.15 4.00 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 10 L 8.24 4.25 0.00 1.96 1.83 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.00 3.64 1.63 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.60 0.21 0.00 0.00 12 T 8.15 4.06 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 13 G 8.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.82 3.95 0.00 2.19 1.84 0.73 -0.74 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 15 W 8.82 4.67 0.00 3.86 3.42 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 16 G 8.09 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 17 K 7.63 4.45 0.00 2.13 2.05 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 18 V 7.54 3.73 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 0.44 0.00 0.00 0.94 0.00 0.00 19 N 8.24 4.49 0.00 2.67 2.58 0.00 0.00 6.79 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 7.84 3.46 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 1.16 0.00 0.00 0.79 0.00 0.00 21 A 7.88 3.97 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 22 E 8.32 3.93 0.00 2.19 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 2.28 2.44 0.00 23 C 8.36 4.10 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.33 3.64 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 0.00 0.00 0.00 25 A 7.86 4.04 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 26 E 7.98 3.89 0.00 2.14 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 2.30 2.45 0.00 27 A 8.31 3.93 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 28 L 7.99 3.86 0.00 1.89 1.65 0.65 1.33 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 29 A 8.08 3.92 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 30 R 8.21 3.80 0.00 1.99 1.90 0.00 3.09 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 31 L 8.06 3.90 0.00 1.81 1.91 1.10 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.89 3.94 0.00 1.84 1.71 0.79 0.85 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 33 I 7.27 3.94 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.90 0.00 0.00 34 V 7.91 3.67 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 0.08 0.00 0.00 0.74 0.00 0.00 35 Y 7.35 4.21 0.00 2.58 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 4.41 0.00 2.25 2.16 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 37 W 8.34 4.60 0.00 3.60 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 38 T 7.71 4.32 4.36 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 1.05 0.00 0.00 39 Q 8.60 4.26 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 40 R 7.73 4.00 0.00 1.82 2.07 0.00 3.00 0.00 0.00 3.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.99 0.00 41 F 7.98 4.24 0.00 2.64 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 0.00 0.00 0.00 0.00 42 F 8.16 4.58 0.00 2.84 2.22 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 43 A 8.27 4.08 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 44 S 8.11 4.51 0.00 4.15 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 45 F 8.39 4.66 0.00 3.24 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 46 G 7.88 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 8.95 4.71 0.00 2.72 2.77 0.00 0.00 6.60 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 8.16 4.92 0.00 1.66 1.62 1.08 1.06 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 49 S 8.36 4.43 0.00 3.99 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 7.56 4.69 0.00 4.01 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 4.32 0.00 2.26 2.33 0.00 3.69 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 2.06 2.04 0.00 52 T 7.83 3.78 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 1.20 0.00 0.00 53 A 8.21 4.02 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 54 I 7.97 3.69 1.99 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 1.54 0.78 0.90 0.00 0.00 55 L 8.20 4.21 0.00 1.86 1.71 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.03 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 0.00 0.00 0.00 57 N 7.68 4.31 0.00 2.97 2.88 0.00 0.00 7.01 7.63 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 58 P 0.00 4.21 0.00 2.12 2.04 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 59 M 8.33 3.76 0.00 0.51 1.64 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.19 0.00 60 V 7.78 3.70 2.26 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 0.88 0.00 0.00 1.10 0.00 0.00 61 R 7.88 3.88 0.00 2.03 1.95 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 62 A 8.15 4.04 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 63 H 8.50 4.49 0.00 3.53 3.58 0.00 5.81 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 8.62 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 65 K 7.90 3.99 0.00 1.80 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.51 7.81 66 K 7.71 4.07 0.00 2.16 1.91 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.51 7.81 67 V 7.91 3.66 2.35 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 1.30 0.00 0.00 0.96 0.00 0.00 68 L 8.39 4.48 0.00 2.02 1.96 1.00 1.18 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 69 T 8.05 4.19 4.51 0.00 0.00 0.00 0.00 0.00 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 70 S 8.04 4.85 0.00 3.72 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 71 F 8.28 4.10 0.00 3.39 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 72 G 8.15 3.18 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 0.00 73 D 8.36 4.36 0.00 2.82 2.65 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 74 A 7.77 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.40 3.27 1.56 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 0.58 0.00 0.00 0.10 0.00 0.00 76 K 7.09 4.51 0.00 1.97 1.71 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.21 7.81 77 N 7.72 4.63 0.00 2.60 2.70 0.00 0.00 6.70 6.67 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 78 L 8.08 3.50 0.00 1.17 0.91 -0.11 0.34 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 79 D 7.88 4.76 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.60 5.13 0.00 2.71 2.68 0.00 0.00 7.05 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 81 I 8.17 3.87 1.87 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 1.43 0.72 0.64 0.00 0.00 82 K 8.12 3.88 0.00 1.85 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.13 7.81 83 N 8.21 4.69 0.00 2.89 2.91 0.00 0.00 7.02 7.05 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 84 T 7.60 4.04 4.70 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 1.07 0.00 0.00 85 F 8.22 4.60 0.00 2.96 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 86 S 7.83 4.04 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 87 Q 8.06 4.02 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.04 0.00 88 L 7.38 4.25 0.00 1.94 1.78 0.57 0.78 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 89 S 7.96 4.24 0.00 4.05 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 90 E 8.25 3.96 0.00 2.25 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 2.42 2.56 0.00 91 L 7.94 3.90 0.00 1.75 1.83 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.52 4.26 0.00 3.44 3.72 0.00 5.85 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.54 4.29 0.00 3.15 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 94 D 8.30 4.45 0.00 2.75 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 8.04 4.04 0.00 1.70 1.99 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 96 L 8.08 4.46 0.00 1.93 1.82 0.85 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.67 4.21 0.00 3.41 3.44 0.00 5.65 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.39 3.64 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 0.25 0.00 0.00 0.70 0.00 0.00 99 D 8.54 4.31 0.00 2.67 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 0.00 100 P 0.00 3.45 0.00 2.15 2.18 0.00 3.56 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 101 E 8.40 3.95 0.00 2.06 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 2.26 2.38 0.00 102 N 7.99 4.42 0.00 2.68 2.79 0.00 0.00 6.90 7.73 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 0.00 103 F 7.58 4.54 0.00 3.23 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.16 4.04 0.00 1.97 2.14 0.00 3.22 0.00 0.00 3.58 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 105 L 7.87 4.06 0.00 1.95 1.59 0.57 0.14 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 0.00 106 L 8.33 4.23 0.00 1.94 2.04 1.03 1.09 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 0.00 107 G 8.34 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 0.00 108 D 8.35 4.50 0.00 3.08 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 0.00 109 I 7.82 3.74 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 0.91 0.00 0.00 110 L 8.32 3.84 0.00 1.61 1.80 0.72 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.89 3.66 2.15 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.14 1.18 0.00 0.00 112 I 7.66 3.75 1.97 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 1.44 1.20 0.89 0.00 0.00 113 V 7.75 3.46 2.08 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 0.78 0.00 0.00 0.89 0.00 0.00 114 L 7.77 3.79 0.00 0.88 0.90 -0.28 0.89 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 0.00 115 A 7.35 3.64 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 0.00 116 A 7.66 4.02 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 0.00 117 H 7.65 4.34 0.00 2.78 2.77 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 7.79 4.75 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 0.00 119 S 7.90 3.56 0.00 3.96 3.25 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 0.00 120 K 8.99 4.01 0.00 1.83 1.93 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 121 D 8.19 4.53 0.00 3.07 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 0.00 122 F 8.47 4.59 0.00 2.94 3.14 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 0.00 123 T 7.52 4.17 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 1.28 0.00 0.00 124 P 0.00 4.20 0.00 2.15 2.13 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 125 E 8.01 3.94 0.00 2.02 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 2.39 2.41 0.00 126 C 7.63 4.08 0.00 2.84 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 0.00 127 Q 8.06 3.47 0.00 1.61 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 128 A 8.11 4.07 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 0.00 129 A 8.03 4.05 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 0.00 130 W 8.53 3.84 0.00 3.64 3.52 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 0.00 131 Q 8.92 4.20 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 132 K 8.01 3.89 0.00 1.87 2.07 0.00 1.39 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.13 1.18 7.81 133 L 7.90 4.20 0.00 1.68 1.76 0.69 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.34 3.82 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 1.09 0.00 0.00 1.15 0.00 0.00 135 R 8.01 3.88 0.00 2.10 1.98 0.00 3.04 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 136 V 8.04 3.50 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 0.96 0.00 0.00 0.87 0.00 0.00 137 V 8.01 3.11 1.92 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 -0.06 0.00 0.00 0.66 0.00 0.00 138 A 8.09 3.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.25 0.00 3.22 3.36 0.00 5.86 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 0.00 140 A 7.66 4.10 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 0.00 141 L 7.84 4.07 0.00 1.41 0.98 0.09 0.73 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 0.00 142 A 7.57 4.80 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 0.00 143 R 7.62 4.00 0.00 1.87 1.85 0.00 3.30 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 *144 K 7.90 4.19 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.