NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.0392 8.3444 118.8246 54.1949 30.6591 170.7295 7 E 3.5142 8.3018 125.3140 52.7888 28.0038 171.0671 8 P 4.4492 0.0000 0.0000 61.7295 33.3322 175.6827 9 K 3.9270 8.5423 122.3139 56.5011 32.4788 177.1696 10 V 4.2011 8.0940 126.4105 61.0737 32.4053 175.6843 11 V 3.7604 8.2003 126.4283 65.5119 31.3694 177.6191 12 G 3.6829 8.1178 104.4023 47.2321 0.0000 175.0148 13 V 3.9445 7.5416 119.6581 65.2662 31.9633 177.5792 14 E 4.1387 8.0980 118.7009 59.4760 29.1029 179.4290 15 I 3.7848 7.5399 111.8144 63.7132 37.8529 178.1285 16 L 4.1372 7.8027 120.5500 57.7521 41.6967 178.8754 17 E 3.9967 8.1551 118.5225 59.3824 29.1380 179.5613 18 K 4.0078 7.9455 117.6458 59.3404 32.1675 178.8023 19 S 4.3958 7.7551 113.3147 58.8829 62.8911 175.0739 20 G 3.8423 7.8428 109.8683 45.5195 0.0000 173.1064 21 L 4.0201 7.6480 121.2542 54.1998 42.7631 176.6806 22 D 4.5569 8.5519 125.3793 53.7812 41.3124 176.6004 23 I 3.7951 8.1508 129.3901 63.9009 37.3441 178.0680 24 K 3.8844 8.0536 120.1669 59.4677 32.1217 178.6365 25 K 3.9580 8.0475 120.0322 59.1269 32.0124 178.5461 26 L 3.8928 8.0471 120.7173 58.2582 42.0143 179.0060 27 V 3.5468 8.1260 118.5528 66.0645 31.5078 177.3073 28 D 4.2801 8.0899 117.6148 57.4283 41.0644 178.5193 29 K 3.9358 7.9674 118.7347 59.3476 31.9445 179.3150 30 L 4.0113 8.2418 119.6735 57.8116 41.4680 179.8063 31 V 3.5936 8.0300 118.3466 65.9718 31.4439 178.2880 32 K 4.0313 7.9497 117.7225 59.2890 31.3423 179.3139 33 A 3.5870 7.8878 121.0666 55.3824 18.0374 179.9238 34 T 4.2757 8.3995 114.4704 66.6118 68.4801 176.8661 35 A 4.1536 8.5049 123.0330 55.2693 18.4398 179.5828 36 A 4.1815 7.9651 119.9620 54.6671 18.5962 179.5822 37 E 4.1037 8.0957 116.4886 59.4300 29.4241 179.2895 38 F 3.8199 8.2524 121.2595 61.3908 38.9672 177.4492 39 T 3.8602 8.1382 109.5488 64.8744 68.5647 176.5241 40 T 3.7210 7.9909 118.6511 66.7466 68.2618 175.5228 41 Y 4.1943 7.4185 119.2737 60.9683 38.7783 177.6166 42 Y 3.6538 7.3822 120.2094 60.8820 39.0059 177.3573 43 Y 4.1539 8.3883 117.9324 61.2709 37.9759 178.1739 44 Y 4.2323 8.9351 118.0703 60.9803 37.6373 178.4455 45 T 3.7478 7.2939 116.2260 66.8231 68.6404 176.2152 46 I 3.7218 7.2735 119.3707 64.2442 37.2591 178.0033 47 L 4.0960 7.6772 118.7125 57.5360 41.8403 180.9247 48 R 4.0368 8.2615 118.5936 56.5773 29.8641 177.2786 *50 H 4.3961 8.0652 112.1456 54.7305 30.7045 174.7033 51 L 4.3838 7.5704 121.7321 53.6865 39.5301 175.5087 52 T 4.5877 7.8060 113.0068 60.4585 73.3863 177.7037 53 G 3.8973 8.1593 113.7216 46.7297 0.0000 174.9792 *55 E 4.3078 9.2465 120.8465 56.1016 31.1870 177.5337 56 G 3.8300 7.6493 103.1993 45.6879 0.0000 175.1487 57 E 4.0357 7.8062 121.1721 59.5236 29.5180 179.0304 58 G 3.7270 7.9687 103.0616 47.1683 0.0000 175.0484 59 L 4.2335 7.7399 120.7360 57.0187 41.5574 179.1765 60 K 3.8947 7.6592 117.9607 59.6537 32.0827 179.0225 61 E 3.9707 8.1141 116.8683 59.1447 29.7142 179.1092 62 I 3.4552 7.6528 120.4640 64.1826 37.3373 177.9843 63 A 4.3539 8.1790 121.6915 54.9766 18.1296 179.4009 64 E 3.9688 8.5874 118.3720 59.5542 29.7947 178.6454 65 D 4.4408 8.2187 118.7421 57.4112 40.8392 178.6844 66 A 3.9493 8.2611 120.7150 55.1471 18.4518 179.4745 67 R 3.9950 8.3807 117.1557 59.9261 30.2750 178.7904 68 L 4.0786 8.2326 118.6316 57.8351 41.5886 179.4057 69 E 3.9982 8.4563 118.6431 59.4915 29.4399 179.1488 70 D 4.3417 8.4681 119.2054 57.0857 40.8808 178.7454 71 R 3.8528 8.0181 119.5452 59.3544 29.9640 178.6006 72 L 4.1034 7.8355 118.2733 57.7930 41.3333 179.1139 73 H 4.2017 7.8761 115.9232 58.5879 28.6459 177.2144 74 F 4.4650 8.1232 121.5878 61.5159 39.5406 176.7228 75 E 3.9252 8.2665 118.0853 59.1241 28.7619 178.7176 76 L 4.1033 7.8717 116.7172 56.7854 41.6423 178.2333 *78 T 4.0540 7.6908 115.0473 64.0256 70.5871 175.6283 79 Q 3.9798 7.6113 120.3142 59.4739 28.9042 178.7262 80 R 4.0684 7.5619 119.1083 59.4322 30.0575 178.2984 81 I 3.6426 7.8217 119.1808 64.8723 37.0910 177.8357 82 Y 4.1627 7.8349 118.4079 60.3449 37.4753 177.9994 83 E 4.0821 8.1404 118.9282 59.0969 29.6347 178.4473 84 L 4.4057 7.7728 116.3475 54.5522 41.8920 177.5925 85 G 3.8189 7.9679 107.4986 45.6113 0.0000 173.9158 86 G 3.9073 7.7919 110.2668 44.2877 0.0000 173.0976 87 G 3.2369 7.5106 105.7696 43.9942 0.0000 173.0836 88 L 4.2451 8.1491 120.2404 53.2288 42.3283 175.8478 89 P 4.3223 0.0000 0.0000 62.7473 31.8837 176.7730 90 R 3.9843 8.8057 122.3786 58.7152 30.3390 176.6556 91 D 4.9392 7.8443 116.4979 52.3632 44.3525 176.9316 92 I 3.6822 8.1690 125.0515 63.9258 38.1815 178.4770 93 R 3.9854 9.0666 119.7519 58.9329 29.7946 178.6565 94 Q 3.9676 8.0622 117.5450 58.9700 28.5568 178.4058 95 L 3.8985 7.3808 119.4830 58.2958 41.8768 178.5244 96 A 4.2094 7.8136 119.8746 55.4957 18.1137 179.4280 97 D 4.3860 7.8731 116.1749 57.1008 41.0341 178.1814 98 I 4.0589 7.7130 110.6856 60.2120 38.3849 176.0593 99 S 4.2086 7.1851 115.0798 58.8305 62.6119 174.3228 100 A 4.0720 8.6533 130.0726 54.3378 18.3943 177.4293 101 C 4.8702 7.2985 112.4033 57.4408 30.9386 174.0193 102 S 4.1765 8.3465 116.7060 58.0298 62.6250 173.7622 103 D 3.8561 8.1954 125.5738 54.3656 41.1804 177.7232 104 A 4.1364 7.2818 129.7268 51.0240 17.1908 176.5783 105 Y 4.2687 6.7732 119.3333 56.6010 39.2113 176.5488 106 L 3.9701 8.4619 125.1080 54.4393 42.5212 175.3389 107 P 4.6044 0.0000 0.0000 62.2153 32.4081 176.2409 108 E 4.0510 8.7907 119.2932 59.2524 30.2661 177.2465 109 N 4.6152 7.8010 118.4738 52.2021 37.8911 175.7575 110 W 4.3574 7.6588 115.9728 59.0195 29.0801 178.2760 111 K 3.5712 6.9623 117.6859 58.3335 31.7861 176.2204 112 D 4.5358 7.7245 119.7764 52.4151 40.9394 175.0848 113 P 4.3989 0.0000 0.0000 65.6624 31.2637 178.4270 114 K 3.9092 8.1731 118.1987 59.2324 31.5310 179.0330 115 E 3.9729 8.1621 119.1957 59.3644 29.3376 179.3884 116 I 3.6986 7.6704 119.3617 64.3294 37.2858 178.1979 117 L 3.7258 8.0365 119.9611 57.6996 41.4082 179.7116 118 K 3.9438 8.0043 118.3349 59.4867 31.9869 179.5789 119 V 3.5448 7.4242 118.1508 65.7956 31.4670 178.0398 120 L 3.5320 7.6589 118.7771 57.5211 41.2970 179.2004 121 L 4.1320 8.0539 120.4987 58.4171 42.1011 178.9301 122 E 4.0133 8.4063 118.2607 59.2237 29.3346 179.2184 123 A 4.0640 8.0688 120.9126 55.2878 18.4658 179.5829 124 E 4.1204 8.5297 117.1293 59.7319 29.6906 179.6065 125 Q 4.0443 8.3949 118.1954 59.0456 28.6657 178.4186 126 C 4.1084 8.1751 119.4189 62.4584 31.5578 175.4868 127 A 3.9820 8.0421 122.3912 55.0592 17.9335 179.6841 128 I 3.7304 8.0663 118.4141 64.7892 37.3934 178.8266 129 R 3.9546 7.8537 118.3237 59.4929 29.3709 179.3578 130 T 3.6864 8.0986 115.6754 66.5546 68.4937 176.8712 131 W 4.4370 8.2269 120.6864 59.1696 29.0965 178.6971 132 K 4.0148 8.3464 120.1498 59.3118 31.3819 178.3796 133 E 3.9409 7.8783 118.4328 59.3206 29.6402 178.6309 134 V 3.8047 7.3051 116.3280 66.2382 31.8792 177.3492 135 C 4.5571 8.3594 116.4241 63.0019 27.7329 176.4880 136 D 4.6847 7.8988 115.8276 55.3903 40.1067 177.5568 *138 T 4.3100 7.9000 111.4164 61.2567 70.6983 172.8085 139 Y 3.7568 8.0997 123.6830 59.3144 38.7313 176.0764 140 G 3.4956 8.7777 114.5142 45.6893 0.0000 173.2675 141 K 4.4175 7.7632 116.5491 57.0941 36.7811 176.1802 142 D 4.7350 8.2443 119.4098 50.4406 41.5361 173.4710 143 P 4.3096 0.0000 0.0000 65.0948 31.6782 177.8168 144 R 3.8569 7.9900 116.7817 59.8959 30.1448 178.5414 145 T 3.9167 8.1994 115.5631 66.6701 68.4399 176.0223 146 Y 4.1125 8.2503 122.8865 60.1615 38.8598 177.6712 147 D 4.2507 8.2272 118.8862 57.3629 41.3541 178.2885 148 L 3.8346 7.7683 118.7716 57.6707 41.5462 179.3444 149 A 3.6022 8.0943 121.0409 54.9551 18.2600 179.4250 150 Q 3.6011 8.1374 118.3271 59.2130 28.9106 178.7202 151 R 3.7674 7.7734 118.9628 59.2101 30.1121 179.1252 152 I 3.1167 7.2149 119.3512 64.0457 36.8937 177.9632 153 L 3.8709 7.6409 121.4218 58.4249 41.6703 178.6956 154 Q 3.8464 8.0064 119.1909 59.4429 28.8301 178.3573 155 E 4.0884 7.6138 120.6927 58.3800 29.4242 179.0521 156 E 3.8139 7.9849 118.8899 59.1802 29.5040 179.2574 157 I 3.6252 7.8317 120.0560 64.4557 36.6839 178.2798 158 E 3.6769 7.5696 119.3394 59.5094 29.2435 179.1375 159 H 2.9286 7.5581 116.3800 58.3539 28.7033 177.3629 160 E 4.0573 8.3225 121.1283 59.4213 29.5385 178.6815 161 A 4.0923 7.9082 120.6255 54.8907 18.2221 179.6827 162 W 4.2504 7.7700 117.3839 60.2091 29.0644 178.8371 163 F 4.6402 7.8056 117.1442 60.4224 38.3641 177.8380 164 L 4.3094 8.6589 119.3521 58.0107 41.2102 179.2105 165 E 4.5775 8.0754 119.5214 58.4210 29.5914 178.6974 166 L 4.2180 7.5285 118.6441 57.6049 42.0217 178.9490 167 L 3.9590 8.1043 117.5994 56.9794 41.8365 176.7796 168 Y 4.7110 7.6014 113.7572 56.2663 40.3944 175.1437 169 G 4.0351 8.5115 107.0627 45.9976 0.0000 173.8346 170 R 4.2848 8.0705 121.6360 53.8132 30.3662 173.8389 171 P 4.6502 0.0000 0.0000 63.1672 31.6614 174.4889 172 S 4.8231 8.1572 114.1726 58.6382 69.4341 176.6758 173 G 4.2747 7.8941 113.0702 44.0990 0.0000 171.7847 174 H 4.2485 8.9635 125.4939 56.2508 29.8128 172.5302 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 6 Q 8.34 4.04 0.00 2.18 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 5.84 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 7 E 8.30 3.51 0.00 2.22 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 2.16 2.36 0.00 8 P 0.00 4.45 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 9 K 8.54 3.93 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.42 1.59 7.81 10 V 8.09 4.20 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 1.05 0.00 0.00 0.98 0.00 0.00 11 V 8.20 3.76 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 0.99 0.00 0.00 0.93 0.00 0.00 12 G 8.12 3.68 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 0.00 0.00 0.00 13 V 7.54 3.94 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 1.07 0.00 0.00 0.93 0.00 0.00 14 E 8.10 4.14 0.00 2.21 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 2.33 2.52 0.00 15 I 7.54 3.78 1.86 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 1.74 0.52 0.96 0.00 0.00 16 L 7.80 4.14 0.00 1.98 1.75 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.16 4.00 0.00 2.18 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 2.33 2.54 0.00 18 K 7.95 4.01 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.48 7.81 19 S 7.76 4.40 0.00 3.92 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 20 G 7.84 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 0.00 0.00 0.00 21 L 7.65 4.02 0.00 1.60 1.74 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.55 4.56 0.00 2.75 2.57 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 0.00 0.00 0.00 23 I 8.15 3.80 1.87 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 1.53 0.63 0.90 0.00 0.00 24 K 8.05 3.88 0.00 1.81 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 K 8.05 3.96 0.00 1.81 1.93 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 8.05 3.89 0.00 1.89 1.82 0.97 0.81 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 27 V 8.13 3.55 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 0.95 0.00 0.00 0.96 0.00 0.00 28 D 8.09 4.28 0.00 2.94 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 29 K 7.97 3.94 0.00 1.98 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.60 7.81 30 L 8.24 4.01 0.00 1.98 1.76 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.03 3.59 2.17 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 1.10 0.00 0.00 0.98 0.00 0.00 32 K 7.95 4.03 0.00 1.79 1.82 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.54 7.81 33 A 7.89 3.59 0.21 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 34 T 8.40 4.28 4.41 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 1.37 0.00 0.00 35 A 8.50 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.97 4.18 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 37 E 8.10 4.10 0.00 2.60 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.93 0.00 38 F 8.25 3.82 0.00 2.68 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 39 T 8.14 3.86 4.52 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 1.35 0.00 0.00 40 T 7.99 3.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 41 Y 7.42 4.19 0.00 2.71 2.88 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 42 Y 7.38 3.65 0.00 2.60 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 43 Y 8.39 4.15 0.00 3.17 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 44 Y 8.94 4.23 0.00 3.04 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 45 T 7.29 3.75 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 1.01 0.00 0.00 46 I 7.27 3.72 1.88 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 1.42 0.03 0.77 0.00 0.00 47 L 7.68 4.10 0.00 1.62 1.57 0.75 0.63 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 48 R 8.26 4.04 0.00 1.94 2.01 0.00 3.14 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 *50 H 8.07 4.40 0.00 2.96 3.00 0.00 5.75 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 51 L 7.57 4.38 0.00 1.83 1.83 0.88 0.78 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 52 T 7.81 4.59 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 1.24 0.00 0.00 53 G 8.16 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 *55 E 9.25 4.31 0.00 2.00 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 2.20 2.31 0.00 56 G 7.65 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 E 7.81 4.04 0.00 2.32 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 2.31 2.38 0.00 58 G 7.97 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0.00 0.00 0.00 2.32 2.32 0.00 134 V 7.31 3.80 2.49 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 1.08 0.00 0.00 0.95 0.00 0.00 135 C 8.36 4.56 0.00 3.31 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 0.00 136 D 7.90 4.68 0.00 2.89 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 *138 T 7.90 4.31 4.58 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 1.35 0.00 0.00 139 Y 8.10 3.76 0.00 2.97 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 0.00 140 G 8.78 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 K 7.76 4.42 0.00 1.67 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.27 1.48 7.81 142 D 8.24 4.74 0.00 2.63 2.55 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 0.00 143 P 0.00 4.31 0.00 2.21 2.11 0.00 3.65 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 2.12 0.00 144 R 7.99 3.86 0.00 1.94 1.94 0.00 3.23 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 145 T 8.20 3.92 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 1.29 0.00 0.00 146 Y 8.25 4.11 0.00 3.20 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 0.00 147 D 8.23 4.25 0.00 3.04 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 0.00 148 L 7.77 3.83 0.00 1.68 1.56 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.09 3.60 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 0.00 150 Q 8.14 3.60 0.00 1.23 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.41 0.00 151 R 7.77 3.77 0.00 1.96 1.81 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 152 I 7.21 3.12 0.88 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.48 -0.37 0.00 0.00 153 L 7.64 3.87 0.00 1.84 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.01 3.85 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 155 E 7.61 4.09 0.00 2.00 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 0.00 2.43 2.26 0.00 156 E 7.98 3.81 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.72 0.00 157 I 7.83 3.63 1.95 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 1.49 0.98 0.86 0.00 0.00 158 E 7.57 3.68 0.00 1.67 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 2.26 2.38 0.00 159 H 7.56 2.93 0.00 3.26 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.32 4.06 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 161 A 7.91 4.09 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 0.00 162 W 7.77 4.25 0.00 2.90 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 0.00 163 F 7.81 4.64 0.00 3.21 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 0.00 164 L 8.66 4.31 0.00 1.93 1.87 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.08 4.58 0.00 2.26 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 2.37 2.35 0.00 166 L 7.53 4.22 0.00 1.89 1.77 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.10 3.96 0.00 1.68 0.80 0.87 0.77 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 0.00 168 Y 7.60 4.71 0.00 3.12 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 0.00 169 G 8.51 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 0.00 170 R 8.07 4.28 0.00 1.92 1.92 0.00 3.17 0.00 0.00 3.42 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 171 P 0.00 4.65 0.00 2.24 2.07 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 172 S 8.16 4.82 0.00 3.98 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 0.00 173 G 7.89 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 0.00 0.00 0.00 0.00 174 H 8.96 4.25 0.00 3.09 3.07 0.00 5.77 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 * Residues marked with a * may have inaccurate shift predictions.