NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.5015 0.0000 0.0000 62.4519 33.3989 175.4460 *2 I 4.3549 8.2740 119.7432 60.7640 36.3197 171.8396 *3 V 4.6287 8.9371 126.0259 59.4196 37.2228 172.4347 *4 Q 4.4703 8.7413 123.4637 57.0106 28.4648 177.7435 *5 N 4.7490 8.7890 125.7016 50.6204 40.0075 172.1565 *6 L 4.1646 8.6395 116.5114 60.1103 40.9380 176.0375 *7 Q 4.1752 7.9659 113.0004 55.4829 27.5779 178.9548 8 G 4.0438 8.1822 109.7352 47.0074 0.0000 175.0737 *9 Q 4.3262 7.7708 122.6757 56.1018 29.7632 181.1888 *10 M 4.6274 8.7119 125.5140 55.0800 32.2194 175.9721 *11 V 4.6033 8.6524 125.2639 59.2426 36.2183 171.7166 *12 H 4.9549 8.7497 120.2167 56.6769 28.9083 175.7581 *13 Q 4.7180 9.0383 120.2364 53.4361 32.1293 175.3173 14 A 4.0858 8.7868 127.3797 52.1151 19.1841 178.4615 *15 I 3.8172 8.2510 121.4986 60.5104 36.3837 177.1516 *16 S 4.5110 8.6061 126.0961 59.7602 63.9252 174.0874 *17 P 4.6653 0.0000 0.0000 66.6890 30.6461 177.3586 *18 R 4.2713 8.0923 120.5220 62.7394 29.3547 184.3929 *19 T 4.1440 7.9377 117.2236 66.4062 68.6564 179.0201 *20 L 4.2483 7.9943 128.1828 60.1907 40.8957 181.6585 *21 N 4.6887 8.7581 120.5992 57.0512 37.4728 179.0049 22 A 4.2269 8.0439 124.5260 55.7117 18.3930 180.3392 *23 W 4.0359 8.7086 124.2602 62.2424 28.2194 181.1955 *24 V 3.8978 8.5117 123.2501 66.3551 31.1092 180.7548 *25 K 4.1701 8.2879 127.4094 60.5871 31.3901 181.6618 *26 V 3.9016 7.8458 122.8057 66.5815 31.7416 181.4753 *27 V 3.9168 7.7153 122.9945 66.4212 31.1992 180.6980 *28 E 4.3692 8.5085 120.2054 60.6072 29.5787 181.2180 *29 E 4.7199 7.8294 117.4431 60.7400 31.0172 182.9225 *30 K 4.4136 8.2474 122.9015 55.3408 32.3563 179.2774 31 A 3.8450 8.3573 122.5611 55.3522 17.9613 181.1200 *32 F 4.7379 8.6466 110.9902 57.8615 38.3427 174.1702 *33 S 4.7312 8.1939 124.5260 56.3969 64.2261 175.6194 *34 P 4.2523 0.0000 0.0000 66.9013 30.4466 179.9111 *35 E 4.2981 8.2702 118.2898 60.7661 29.6917 182.6910 *36 V 4.0827 8.5490 121.0773 66.9665 31.7200 184.7029 *37 I 3.9894 7.6117 121.6017 65.8508 35.3833 181.6013 *38 P 4.6259 0.0000 0.0000 67.4167 30.6451 181.1081 *39 M 4.3173 7.8157 119.8661 60.7898 31.1275 182.9104 *40 F 4.3643 8.0325 123.1044 62.4928 38.3786 179.9505 *41 S 4.4839 8.0368 118.4062 63.1489 61.8923 178.5645 42 A 4.2821 8.0710 126.2810 55.5050 18.2802 180.0423 *43 L 4.3086 8.5143 121.6514 58.6137 41.2742 180.2778 *44 S 4.9518 7.7556 116.2886 58.8061 63.5274 179.8600 *45 E 4.2776 8.3338 118.1795 58.0338 29.9987 179.9814 46 G 3.9262 9.0477 110.9448 44.7953 0.0000 173.1401 47 A 4.3161 7.9995 125.4434 52.6797 19.0047 179.0347 *48 T 4.5384 8.2867 118.9638 61.9095 71.0870 175.0187 *49 P 4.5303 0.0000 0.0000 69.5538 30.5249 177.9964 *50 Q 4.2905 8.2162 122.5875 60.8588 28.1584 180.7759 *51 D 4.6468 8.2473 125.3370 58.8720 39.8473 180.9737 *52 L 4.3119 8.4306 126.6286 59.9855 40.8172 181.8089 *53 N 4.6447 8.4882 122.8727 58.3247 37.3586 179.9263 *54 T 4.0395 8.0902 118.7017 66.7408 68.5891 178.5823 *55 M 4.5055 8.0048 124.5920 60.4050 31.3886 181.9205 *56 L 4.3289 8.1668 126.2941 59.7129 40.8830 180.9903 *57 N 4.8642 8.7461 120.2734 56.9358 37.7607 179.9858 *58 T 4.6841 7.5572 115.7420 63.8011 69.0430 181.4060 *59 V 3.9306 7.1089 118.5746 61.5458 31.9213 181.7585 60 G 3.9261 8.5739 114.6248 44.5302 0.0000 175.1432 61 G 3.6647 8.5568 111.9657 47.0374 0.0000 172.8296 *62 H 3.9947 8.7728 112.5261 56.1141 25.5382 172.8236 *63 Q 4.1036 7.8210 124.0088 60.4463 28.4465 179.5470 64 A 4.2284 7.9564 121.3808 54.9207 18.5096 179.5212 65 A 3.9876 8.0219 121.3575 56.2559 18.5916 180.1060 *66 M 4.0682 8.3197 121.4078 60.7520 31.3368 181.2447 *67 Q 4.3548 8.2063 123.2194 60.9664 28.3871 181.5963 *68 M 4.4060 8.3422 124.5517 60.0638 31.3763 181.7749 *69 L 4.2481 8.2874 125.6710 60.0237 41.1622 182.3138 *70 K 4.1902 8.5322 128.0311 60.5180 31.4825 181.3924 *71 E 4.3647 8.4639 121.9790 61.6974 29.5138 181.9322 *72 T 4.1534 8.0530 117.3674 66.5214 68.5056 179.7241 *73 I 3.9777 7.8855 125.8205 65.9296 35.5344 180.5937 *74 N 4.7145 8.7613 124.1973 57.7419 37.3188 179.6562 *75 E 4.3116 8.5761 122.2163 61.8869 29.7938 183.1763 *76 E 4.2024 8.6626 119.2644 60.7997 29.7702 181.4117 77 A 4.1693 8.4564 121.6574 55.2033 18.5007 179.6937 78 A 4.0463 8.2859 121.7525 55.8085 18.3244 180.3679 *79 E 4.0277 8.5589 119.5296 61.4675 29.8337 182.3053 *80 W 4.3060 8.2708 126.4339 62.2861 28.1358 180.6152 *81 D 4.6860 7.9976 123.2819 58.8701 39.2164 181.2137 *82 R 4.3708 7.9887 123.3839 61.9440 29.6154 181.1741 *83 L 4.7212 8.1469 122.8949 57.3173 42.2924 179.4057 *84 H 4.9957 7.6815 116.4783 52.7283 28.4175 177.4418 *85 P 4.4547 0.0000 0.0000 62.0978 31.6107 177.8650 *86 V 3.8425 8.3324 120.8056 61.3319 32.2715 175.9594 *87 H 4.7985 8.5327 120.4548 51.8599 29.5294 173.1779 88 A 4.2748 8.3031 128.0414 50.4577 19.2949 175.5849 89 G 3.9718 8.7028 108.0331 44.1915 0.0000 172.9489 *90 P 4.3901 0.0000 0.0000 62.3397 31.4105 176.6754 *91 I 4.2792 8.0497 118.2508 58.3346 36.7374 176.3812 92 A 4.3266 8.4338 130.7661 50.4953 19.2410 175.4238 *93 P 4.5857 0.0000 0.0000 63.4170 31.2882 178.3269 94 G 3.9638 9.2586 113.4340 45.1292 0.0000 173.2977 *95 Q 4.7104 7.7583 119.1503 53.9346 31.4029 180.4312 *96 M 4.9278 8.1529 114.7232 54.2402 35.3899 174.2654 *97 R 4.0012 8.7138 119.5252 57.6117 30.0007 177.9336 *98 E 4.2348 8.6697 119.0738 55.2524 30.4314 175.9204 *99 P 4.4089 0.0000 0.0000 61.7712 31.7129 174.6941 *100 R 4.6670 8.2823 123.9173 56.0652 32.4563 176.5621 101 G 3.9799 8.6459 105.5138 50.2998 0.0000 176.5562 *102 S 4.2616 8.2649 123.1918 63.8138 62.2013 178.6570 *103 D 4.6682 8.0602 126.3447 58.7547 39.4465 181.3656 *104 I 3.8877 7.5264 120.3609 65.1231 35.6456 180.1307 105 A 4.4072 7.7550 120.3673 52.7742 18.2722 178.4990 106 G 3.8697 7.9396 107.9000 46.2996 0.0000 175.5884 *107 T 4.0179 8.0482 115.3744 63.9967 68.5260 180.9192 *108 T 4.5127 7.9641 113.0658 60.8096 69.4989 176.5169 *109 S 4.8709 7.8320 119.3897 58.0007 65.1510 180.4529 *110 T 4.4448 8.2463 121.2634 62.2282 70.5964 175.7578 *111 L 4.2571 8.5829 126.8731 61.1827 40.7800 181.4406 *112 Q 4.2893 8.1935 123.6718 60.6940 28.0976 180.6802 *113 E 4.2465 8.3605 122.6038 61.7007 29.7114 181.4551 *114 Q 4.2892 8.2035 124.2379 60.9194 28.1306 181.5061 *115 I 4.1182 7.9135 122.5696 64.6682 35.5195 180.1880 116 G 3.9209 8.6042 110.1914 48.1746 0.0000 176.5707 *117 W 4.0627 8.2190 127.5410 62.1906 28.2471 181.3839 *118 M 4.2418 8.2203 122.4472 59.1772 30.9159 180.0032 *119 T 4.7943 7.8349 112.9673 63.2098 69.8630 179.6123 *120 H 4.5987 7.6795 119.2929 55.7868 28.7667 180.5922 *121 N 4.9113 8.3833 116.6942 51.4849 39.0037 172.6180 *122 P 4.4945 0.0000 0.0000 60.9642 31.6255 172.7153 *123 P 4.5616 0.0000 0.0000 62.2108 31.5888 176.8380 *124 I 4.4456 8.7492 118.7894 59.1969 37.4978 177.0337 *125 P 4.7771 0.0000 0.0000 62.6046 27.8413 173.9015 *126 V 4.0062 7.7851 124.7885 65.7871 31.9449 178.9076 127 G 4.0763 8.0691 108.9771 47.9230 0.0000 176.2922 *128 E 4.0768 8.2288 122.7165 61.5320 29.8422 181.9983 *129 I 4.1090 7.9504 123.5378 65.7227 35.5219 180.7186 *130 Y 4.2954 8.4817 125.4067 62.4070 36.6935 181.3396 *131 K 4.2832 8.5530 127.9791 60.1220 31.7963 182.3561 *132 R 4.2231 8.2131 124.0340 62.1045 29.2847 182.0147 *133 W 4.2921 8.1556 126.3347 61.9252 28.2252 180.8845 *134 I 4.0487 8.2930 123.8502 65.6100 34.8116 181.1185 *135 I 4.1211 8.0872 123.9469 65.5249 35.1316 181.4962 *136 L 4.3156 8.1561 123.9583 59.2763 40.7251 182.0979 137 G 3.9064 8.1467 109.1009 48.3119 0.0000 176.2490 *138 L 4.0913 8.4476 128.0857 59.8486 40.6357 181.2262 *139 N 4.5496 8.2031 121.8573 58.3361 37.3554 179.5143 *140 K 4.4448 7.8689 128.5480 60.0864 31.7669 181.8097 *141 I 4.1033 7.9687 123.3534 65.6281 35.4517 181.9183 *142 V 4.0411 8.3516 123.6354 66.3316 31.1467 180.9024 *143 R 4.6156 7.6402 118.6323 60.3308 29.2887 181.8632 *144 M 4.8656 8.6596 121.9081 58.1760 32.8216 181.4000 *145 Y 4.8318 7.1716 117.3222 57.2896 37.8924 181.8589 *146 S 4.5936 7.8031 115.7152 58.3623 66.0720 176.4859 *147 P 5.0171 0.0000 0.0000 60.6332 33.3452 174.2424 *148 T 4.5850 8.2830 114.8635 59.9822 67.4839 176.2196 *149 S 4.8978 7.6419 128.6127 57.2113 63.9262 177.7870 *150 I 4.4184 8.0607 124.8004 64.2448 35.5410 180.7954 *151 L 4.0878 7.9851 120.7901 57.4276 40.9536 181.0752 *152 D 4.6351 9.4947 116.6335 54.3625 39.8546 182.2153 *153 I 4.2543 7.3735 120.5036 60.1606 34.5154 180.2878 *154 R 4.8846 8.1011 128.5860 54.6369 32.4865 174.4837 *155 Q 4.1946 9.0518 123.8274 54.9252 28.7667 176.2131 156 G 3.7915 8.8626 113.3636 45.3424 0.0000 173.2955 *157 P 4.4029 0.0000 0.0000 64.9842 30.7761 178.8531 *158 K 4.7026 7.8947 119.9324 54.5687 33.1570 178.3578 *159 E 4.3439 7.9140 118.8277 55.9764 30.7277 179.2509 *160 P 4.5622 0.0000 0.0000 63.7964 32.7187 175.7681 *161 F 4.3090 8.9601 126.2246 62.0975 37.9118 176.9548 *162 R 4.2186 8.1491 122.4787 62.4231 29.3267 181.6623 *163 D 4.6826 8.1897 124.1130 58.9556 39.7314 180.4700 *164 Y 4.3071 7.9813 124.0751 62.5257 36.8013 181.9667 *165 V 3.9148 8.0570 123.3380 66.7671 31.8089 181.3316 *166 D 4.6904 8.1275 124.2951 58.9307 39.2217 181.2582 *167 R 4.3667 8.1467 123.3749 61.1999 29.2398 182.0747 *168 F 4.2314 7.8148 121.7147 63.3343 38.3963 182.9238 *169 Y 4.3788 8.0739 123.7247 61.6632 36.7591 180.4919 *170 K 4.3678 8.2040 125.8204 60.8929 31.6875 184.7516 *171 T 4.4408 7.6547 116.3637 66.3758 68.3940 181.3846 *172 L 4.3226 7.8116 126.6957 60.0685 40.7653 183.3813 *173 R 4.0946 7.9666 120.8808 61.3956 29.1966 180.6418 174 A 4.2960 7.4272 121.6157 55.7033 18.3611 179.3342 *175 E 4.3776 7.9082 115.5416 57.4042 30.9545 179.0609 *176 Q 3.4650 8.8141 117.3666 56.8781 25.8268 178.5766 177 A 4.1629 8.3619 124.9057 52.5557 19.6671 179.7050 *178 S 4.5143 8.5921 124.9189 60.4903 64.4370 173.4171 *179 Q 4.3592 8.6626 123.6002 61.9767 27.2273 178.6027 *180 E 4.2814 8.2426 121.0008 61.9749 29.7852 183.7267 *181 V 3.9348 7.8571 122.7385 66.4486 31.7974 180.7882 *182 K 4.1859 8.1774 127.1505 60.3782 31.2720 181.3739 *183 N 4.5762 7.9932 119.4529 57.4904 37.4981 180.1937 184 A 4.2090 7.8013 122.1773 54.9082 18.4164 179.6692 185 A 4.0510 8.4809 122.1122 56.0066 18.7234 180.7138 *186 T 3.8961 8.2193 115.6643 66.9307 68.4023 179.9703 *187 E 4.3744 8.0769 122.3561 61.0547 29.9164 178.8447 *188 T 4.5625 8.0178 109.4018 61.9949 72.3131 181.1344 *189 L 4.1205 8.4482 125.3069 60.4788 41.2382 182.0073 *190 L 4.2740 8.0782 124.7144 60.0114 40.9459 182.1689 *191 V 4.0603 7.3192 122.2589 66.6247 31.4329 180.9511 *192 Q 4.3597 8.2675 123.2252 60.3372 28.1849 179.7505 *193 N 5.0197 8.6365 120.2336 53.6446 37.9070 176.7080 194 A 4.9241 6.9602 126.4956 52.1725 20.8611 179.1285 *195 N 4.6779 8.5245 121.9670 54.0202 39.5480 175.8210 *196 P 4.4963 0.0000 0.0000 68.9755 30.8933 180.1861 *197 D 4.6611 8.1805 122.9457 58.9692 39.7892 181.4652 *198 C 4.5964 8.2440 122.8522 60.6233 41.0542 178.2684 *199 K 3.9170 8.6303 129.4895 60.5272 31.1482 181.7565 *200 T 4.2551 7.8530 117.0150 66.5481 68.4578 180.8102 *201 I 3.9757 7.7110 125.2626 65.5873 35.3662 180.7563 *202 L 4.2773 8.4935 126.0823 60.0082 40.5678 181.9440 *203 K 4.3123 8.2344 124.5119 59.3969 31.3091 180.8536 204 A 4.1173 7.9617 122.4622 55.7576 18.4097 180.0589 *205 L 4.0464 7.7503 120.2092 57.1525 41.2177 181.3210 206 G 4.1988 7.1686 104.3344 45.9845 0.0000 172.1363 *207 P 4.2919 0.0000 0.0000 62.7906 31.1764 177.0173 208 G 4.2342 8.9937 113.0416 44.7343 0.0000 173.2558 209 A 4.4538 7.8870 123.7816 51.4952 20.4503 179.4736 *210 T 4.3942 8.1926 118.2639 62.7544 70.9665 177.3428 *211 L 4.3262 8.4927 125.0873 61.3773 40.5704 180.0111 *212 E 4.3718 8.2619 120.1430 61.4413 29.7766 182.3822 *213 E 4.3232 8.1406 119.6796 61.9854 29.4926 183.6053 *214 M 4.3558 8.1652 123.4258 60.7285 31.2852 181.7352 *215 M 4.3975 7.9086 122.9159 60.2652 31.5115 180.9796 *216 T 4.2685 7.4713 113.4732 66.0795 68.8549 179.6069 217 A 4.4985 8.1658 124.7314 54.4115 18.3952 177.5910 *218 C 5.0009 7.7083 115.7760 55.2489 41.5686 180.0435 *219 Q 4.2647 8.2875 124.7932 56.1203 27.7416 178.6474 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 P 0.00 4.50 0.00 1.78 2.00 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.61 0.00 *2 I 8.27 4.35 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 1.09 1.03 0.91 0.00 0.00 *3 V 8.94 4.63 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 0.64 0.00 0.00 0.93 0.00 0.00 *4 Q 8.74 4.47 0.00 1.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *5 N 8.79 4.75 0.00 2.74 2.67 0.00 0.00 6.99 7.30 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 *6 L 8.64 4.16 0.00 1.56 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *7 Q 7.97 4.18 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 8 G 8.18 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 *9 Q 7.77 4.33 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.03 0.00 0.00 0.00 0.00 0.00 2.36 1.93 0.00 *10 M 8.71 4.63 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.11 0.00 *11 V 8.65 4.60 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 0.66 0.00 0.00 0.93 0.00 0.00 *12 H 8.75 4.95 0.00 2.69 2.87 0.00 7.12 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *13 Q 9.04 4.72 0.00 1.72 1.82 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 2.20 2.17 0.00 14 A 8.79 4.09 1.25 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 0.00 0.00 *15 I 8.25 3.82 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 1.27 0.73 0.91 0.00 0.00 *16 S 8.61 4.51 0.00 3.73 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 *17 P 0.00 4.67 0.00 2.07 2.09 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 *18 R 8.09 4.27 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *19 T 7.94 4.14 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 1.21 0.00 0.00 *20 L 7.99 4.25 0.00 1.66 1.71 0.92 0.80 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 *21 N 8.76 4.69 0.00 2.67 2.86 0.00 0.00 7.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.04 4.23 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 *23 W 8.71 4.04 0.00 2.46 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 0.00 0.00 0.00 0.00 *24 V 8.51 3.90 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 0.71 0.00 0.00 0.93 0.00 0.00 *25 K 8.29 4.17 0.00 1.75 1.89 0.00 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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 1.23 0.91 0.00 0.00 *125 P 0.00 4.78 0.00 2.07 1.99 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.64 0.00 *126 V 7.79 4.01 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 0.77 0.00 0.00 0.93 0.00 0.00 127 G 8.07 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 0.00 0.00 0.00 *128 E 8.23 4.08 0.00 1.99 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 2.31 1.94 0.00 *129 I 7.95 4.11 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 1.38 0.54 0.91 0.00 0.00 *130 Y 8.48 4.30 0.00 2.28 2.33 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 *131 K 8.55 4.28 0.00 1.75 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *132 R 8.21 4.22 0.00 1.82 1.98 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 *133 W 8.16 4.29 0.00 2.52 2.33 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 *134 I 8.29 4.05 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 1.38 0.54 0.91 0.00 0.00 *135 I 8.09 4.12 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 1.38 0.54 0.91 0.00 0.00 *136 L 8.16 4.32 0.00 1.66 1.71 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.15 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 *138 L 8.45 4.09 0.00 1.62 1.70 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *139 N 8.20 4.55 0.00 2.81 2.79 0.00 0.00 7.01 7.06 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 *140 K 7.87 4.44 0.00 1.73 1.84 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *141 I 7.97 4.10 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 1.38 0.54 0.91 0.00 0.00 *142 V 8.35 4.04 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 0.71 0.00 0.00 0.93 0.00 0.00 *143 R 7.64 4.62 0.00 1.91 1.85 0.00 3.20 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 *144 M 8.66 4.87 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 *145 Y 7.17 4.83 0.00 2.30 2.15 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 *146 S 7.80 4.59 0.00 3.56 3.59 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 *147 P 0.00 5.02 0.00 2.06 1.82 0.00 3.67 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 1.84 1.55 0.00 *148 T 8.28 4.59 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 1.21 0.00 0.00 *149 S 7.64 4.90 0.00 3.60 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 *150 I 8.06 4.42 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 1.27 0.53 0.91 0.00 0.00 *151 L 7.99 4.09 0.00 1.66 1.61 0.92 0.89 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 *152 D 9.49 4.64 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 I 7.37 4.25 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 1.16 1.16 0.91 0.00 0.00 *154 R 8.10 4.88 0.00 1.55 1.69 0.00 3.23 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 *155 Q 9.05 4.19 0.00 1.79 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.19 0.00 156 G 8.86 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 *157 P 0.00 4.40 0.00 2.10 1.99 0.00 3.69 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 1.94 1.60 0.00 *158 K 7.89 4.70 0.00 1.71 1.63 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *159 E 7.91 4.34 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 *160 P 0.00 4.56 0.00 2.07 1.96 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.65 0.00 *161 F 8.96 4.31 0.00 2.27 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 0.00 0.00 0.00 0.00 *162 R 8.15 4.22 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.28 0.00 *163 D 8.19 4.68 0.00 2.68 2.70 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 *164 Y 7.98 4.31 0.00 2.35 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 0.00 0.00 0.00 0.00 *165 V 8.06 3.91 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 0.71 0.00 0.00 0.93 0.00 0.00 *166 D 8.13 4.69 0.00 2.72 2.71 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 0.00 0.00 0.00 0.00 *167 R 8.15 4.37 0.00 1.85 1.96 0.00 3.23 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *168 F 7.81 4.23 0.00 2.23 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 0.00 0.00 0.00 0.00 *169 Y 8.07 4.38 0.00 2.33 2.33 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 *170 K 8.20 4.37 0.00 1.78 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *171 T 7.65 4.44 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 1.21 0.00 0.00 *172 L 7.81 4.32 0.00 1.59 1.70 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 *173 R 7.97 4.09 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 174 A 7.43 4.30 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 *175 E 7.91 4.38 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 *176 Q 8.81 3.47 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 177 A 8.36 4.16 1.24 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 0.00 0.00 *178 S 8.59 4.51 0.00 3.75 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 *179 Q 8.66 4.36 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.89 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 *180 E 8.24 4.28 0.00 1.97 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 2.31 1.94 0.00 *181 V 7.86 3.93 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 0.75 0.00 0.00 0.93 0.00 0.00 *182 K 8.18 4.19 0.00 1.78 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *183 N 7.99 4.58 0.00 2.70 2.85 0.00 0.00 6.86 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 0.00 184 A 7.80 4.21 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 0.00 185 A 8.48 4.05 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 *186 T 8.22 3.90 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 1.21 0.00 0.00 *187 E 8.08 4.37 0.00 2.02 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 2.19 0.00 *188 T 8.02 4.56 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 1.21 0.00 0.00 *189 L 8.45 4.12 0.00 1.64 1.73 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *190 L 8.08 4.27 0.00 1.73 1.62 0.92 1.19 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 *191 V 7.32 4.06 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 0.71 0.00 0.00 0.93 0.00 0.00 *192 Q 8.27 4.36 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.49 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 *193 N 8.64 5.02 0.00 2.67 2.80 0.00 0.00 6.87 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 0.00 194 A 6.96 4.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *195 N 8.52 4.68 0.00 2.74 2.71 0.00 0.00 6.64 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *196 P 0.00 4.50 0.00 2.06 2.13 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.70 0.00 *197 D 8.18 4.66 0.00 2.68 2.70 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 *198 C 8.24 4.60 0.00 2.83 3.12 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 *199 K 8.63 3.92 0.00 1.71 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *200 T 7.85 4.26 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 1.21 0.00 0.00 *201 I 7.71 3.98 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 1.38 0.54 0.91 0.00 0.00 *202 L 8.49 4.28 0.00 1.70 1.62 0.92 0.96 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 *203 K 8.23 4.31 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 204 A 7.96 4.12 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 *205 L 7.75 4.05 0.00 1.77 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 206 G 7.17 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 0.00 0.00 0.00 0.00 *207 P 0.00 4.29 0.00 2.10 1.86 0.00 3.72 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 1.94 1.59 0.00 208 G 8.99 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 A 7.89 4.45 1.24 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 0.00 0.00 *210 T 8.19 4.39 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 1.21 0.00 0.00 *211 L 8.49 4.33 0.00 1.64 1.71 0.92 0.82 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 *212 E 8.26 4.37 0.00 1.97 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 2.31 1.94 0.00 *213 E 8.14 4.32 0.00 1.97 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 2.31 1.94 0.00 *214 M 8.17 4.36 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *215 M 7.91 4.40 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 *216 T 7.47 4.27 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 1.21 0.00 0.00 217 A 8.17 4.50 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 *218 C 7.71 5.00 0.00 2.71 2.90 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 *219 Q 8.29 4.26 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.62 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.