NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 P 4.5015 0.0000 0.0000 62.4532 33.3984 175.4449 *2 I 4.3561 8.2755 119.7333 60.7633 36.3233 171.8367 *3 V 4.6283 8.9373 126.0160 59.4234 37.2194 172.4467 *4 Q 4.4712 8.7422 123.4943 57.0077 28.4632 177.7578 *5 N 4.7491 8.7898 125.7077 50.6199 40.0062 172.1579 *6 L 4.1647 8.6389 116.5123 60.1088 40.9386 176.0373 *7 Q 4.1737 7.9661 113.0020 55.4829 27.5777 178.9538 8 G 4.0438 8.1831 109.7383 47.0081 0.0000 175.0706 *9 Q 4.3274 7.7705 122.6780 56.0957 29.7654 181.1888 *10 M 4.6261 8.7125 125.5272 55.0803 32.2156 175.9597 *11 V 4.6039 8.6551 125.2645 59.2416 36.2216 171.7170 *12 H 4.9532 8.7502 120.2230 56.6767 28.9068 175.7654 *13 Q 4.7181 9.0385 120.2391 53.4355 32.1296 175.3155 14 A 4.0860 8.7861 127.3764 52.1130 19.1846 178.4619 *15 I 3.8162 8.2525 121.5012 60.5165 36.3827 177.1443 *16 S 4.5115 8.6065 126.0940 59.7564 63.9249 174.0888 *17 P 4.6634 0.0000 0.0000 66.6984 30.6444 177.3571 *18 R 4.2695 8.0937 120.5332 62.7363 29.3540 184.3660 *19 T 4.1440 7.9378 117.2303 66.4033 68.6556 179.0105 *20 L 4.2481 7.9963 128.1819 60.1911 40.8973 181.6591 *21 N 4.6885 8.7582 120.5985 57.0516 37.4760 179.0048 22 A 4.2277 8.0436 124.5169 55.7117 18.3936 180.3404 *23 W 4.0357 8.7081 124.2611 62.2408 28.2202 181.1968 *24 V 3.8977 8.5118 123.2525 66.3551 31.1083 180.7541 *25 K 4.1696 8.2868 127.4060 60.5887 31.3906 181.6656 *26 V 3.9019 7.8444 122.7992 66.5794 31.7431 181.4736 *27 V 3.9170 7.7164 122.9881 66.4219 31.1997 180.6960 *28 E 4.3694 8.5091 120.2080 60.6056 29.5791 181.2112 *29 E 4.7205 7.8307 117.4405 60.7333 31.0212 182.9233 *30 K 4.4151 8.2465 122.8893 55.3336 32.3585 179.2714 31 A 3.8441 8.3581 122.5853 55.3545 17.9666 181.1173 *32 F 4.7382 8.6464 110.9818 57.8616 38.3452 174.1662 *33 S 4.7318 8.1926 124.5232 56.3956 64.2300 175.6232 *34 P 4.2548 0.0000 0.0000 66.9016 30.4482 179.9134 *35 E 4.2971 8.2709 118.2937 60.7732 29.6904 182.6994 *36 V 4.0819 8.5476 121.0733 66.9701 31.7185 184.6996 *37 I 3.9892 7.6124 121.6149 65.8467 35.3826 181.5826 *38 P 4.6254 0.0000 0.0000 67.4184 30.6449 181.1037 *39 M 4.3169 7.8153 119.8778 60.7866 31.1265 182.8873 *40 F 4.3613 8.0317 123.0990 62.4987 38.3763 179.9554 *41 S 4.4838 8.0350 118.4131 63.1487 61.8920 178.5507 42 A 4.2829 8.0711 126.2808 55.5004 18.2794 180.0369 *43 L 4.3095 8.5135 121.6508 58.6077 41.2773 180.2851 *44 S 4.9518 7.7550 116.2966 58.8079 63.5287 179.8613 *45 E 4.2787 8.3341 118.1753 58.0348 29.9995 179.9820 46 G 3.9262 9.0474 110.9393 44.7979 0.0000 173.1396 47 A 4.3170 7.9980 125.4444 52.6775 19.0045 179.0375 *48 T 4.5388 8.2875 118.9718 61.9123 71.0848 175.0074 *49 P 4.5302 0.0000 0.0000 69.5532 30.5267 177.9980 *50 Q 4.2907 8.2167 122.5905 60.8574 28.1580 180.7742 *51 D 4.6469 8.2478 125.3345 58.8754 39.8467 180.9770 *52 L 4.3121 8.4301 126.6320 59.9840 40.8166 181.8034 *53 N 4.6451 8.4877 122.8709 58.3241 37.3579 179.9299 *54 T 4.0361 8.0884 118.6969 66.7398 68.5900 178.5860 *55 M 4.5056 8.0051 124.6004 60.4033 31.3883 181.9163 *56 L 4.3296 8.1694 126.2923 59.7114 40.8837 180.9870 *57 N 4.8655 8.7488 120.2735 56.9301 37.7613 179.9855 *58 T 4.6840 7.5574 115.7506 63.7983 69.0449 181.4048 *59 V 3.9314 7.1086 118.5851 61.5439 31.9244 181.7580 60 G 3.9256 8.5740 114.6218 44.5323 0.0000 175.1414 61 G 3.6648 8.5573 111.9710 47.0327 0.0000 172.8281 *62 H 3.9949 8.7726 112.5311 56.1131 25.5384 172.8269 *63 Q 4.1033 7.8220 123.9941 60.4458 28.4439 179.5468 64 A 4.2284 7.9566 121.3673 54.9259 18.5130 179.5204 65 A 3.9880 8.0220 121.3577 56.2544 18.5906 180.1063 *66 M 4.0698 8.3216 121.4096 60.7509 31.3369 181.2452 *67 Q 4.3544 8.2050 123.2114 60.9661 28.3903 181.5971 *68 M 4.4061 8.3427 124.5507 60.0634 31.3760 181.7767 *69 L 4.2483 8.2833 125.6593 60.0232 41.1627 182.3153 *70 K 4.1894 8.5304 128.0322 60.5201 31.4832 181.3923 *71 E 4.3649 8.4634 121.9836 61.6945 29.5141 181.9280 *72 T 4.1533 8.0518 117.3580 66.5221 68.5046 179.7253 *73 I 3.9776 7.8848 125.8234 65.9318 35.5340 180.5921 *74 N 4.7114 8.7608 124.1906 57.7419 37.3177 179.6587 *75 E 4.3128 8.5764 122.2029 61.8848 29.7955 183.1879 *76 E 4.2022 8.6645 119.2484 60.8018 29.7702 181.4309 77 A 4.1695 8.4538 121.6482 55.2066 18.5007 179.6942 78 A 4.0464 8.2857 121.7519 55.8070 18.3247 180.3671 *79 E 4.0270 8.5592 119.5305 61.4690 29.8358 182.2996 *80 W 4.3073 8.2687 126.4384 62.2874 28.1350 180.6101 *81 D 4.6862 7.9990 123.2769 58.8686 39.2164 181.2149 *82 R 4.3710 7.9907 123.3831 61.9454 29.6154 181.1754 *83 L 4.7219 8.1454 122.8854 57.3128 42.2917 179.4065 *84 H 4.9955 7.6811 116.4828 52.7295 28.4185 177.4382 *85 P 4.4546 0.0000 0.0000 62.0956 31.6103 177.8621 *86 V 3.8419 8.3332 120.8147 61.3314 32.2706 175.9535 *87 H 4.7989 8.5330 120.4645 51.8564 29.5315 173.1650 88 A 4.2741 8.3033 128.0384 50.4610 19.2926 175.5793 89 G 3.9687 8.7018 108.0267 44.1932 0.0000 172.9445 *90 P 4.3909 0.0000 0.0000 62.3377 31.4106 176.6460 *91 I 4.2800 8.0493 118.2473 58.3315 36.7389 176.3830 92 A 4.3255 8.4339 130.7663 50.5005 19.2378 175.4255 *93 P 4.5857 0.0000 0.0000 63.4159 31.2899 178.3307 94 G 3.9638 9.2585 113.4288 45.1298 0.0000 173.2997 *95 Q 4.7101 7.7562 119.1515 53.9388 31.3996 180.4315 *96 M 4.9272 8.1542 114.7167 54.2478 35.3874 174.2493 *97 R 4.0010 8.7124 119.5270 57.6107 30.0024 177.9301 *98 E 4.2358 8.6694 119.0643 55.2515 30.4324 175.9262 *99 P 4.4089 0.0000 0.0000 61.7698 31.7113 174.6938 *100 R 4.6658 8.2831 123.9217 56.0723 32.4470 176.5634 101 G 3.9781 8.6453 105.5173 50.2967 0.0000 176.5605 *102 S 4.2621 8.2641 123.1881 63.8123 62.2019 178.6562 *103 D 4.6683 8.0604 126.3332 58.7575 39.4468 181.3809 *104 I 3.8880 7.5281 120.3611 65.1235 35.6452 180.1341 105 A 4.4073 7.7570 120.3706 52.7752 18.2736 178.4991 106 G 3.8700 7.9397 107.9015 46.2969 0.0000 175.5893 *107 T 4.0169 8.0468 115.3685 64.0021 68.5245 180.9209 *108 T 4.5133 7.9644 113.0642 60.8067 69.4989 176.5102 *109 S 4.8706 7.8325 119.3976 58.0006 65.1508 180.4497 *110 T 4.4446 8.2470 121.2795 62.2216 70.5947 175.7402 *111 L 4.2568 8.5830 126.8680 61.1856 40.7795 181.4371 *112 Q 4.2890 8.1945 123.6734 60.6953 28.0956 180.6823 *113 E 4.2463 8.3613 122.6017 61.7010 29.7105 181.4563 *114 Q 4.2889 8.2043 124.2346 60.9195 28.1329 181.5062 *115 I 4.1181 7.9160 122.5727 64.6694 35.5158 180.1902 116 G 3.9207 8.6039 110.1878 48.1721 0.0000 176.5719 *117 W 4.0626 8.2187 127.5420 62.1915 28.2471 181.3919 *118 M 4.2494 8.2199 122.4464 59.1774 30.9165 180.0033 *119 T 4.7937 7.8336 112.9648 63.2117 69.8618 179.6186 *120 H 4.5993 7.6773 119.2891 55.7829 28.7684 180.5897 *121 N 4.9120 8.3839 116.7046 51.4819 39.0095 172.6344 *122 P 4.4934 0.0000 0.0000 60.9650 31.6232 172.6980 *123 P 4.5606 0.0000 0.0000 62.2060 31.5869 176.8215 *124 I 4.4451 8.7462 118.7974 59.1944 37.4915 177.0440 *125 P 4.7771 0.0000 0.0000 62.6088 27.8443 173.9053 *126 V 4.0067 7.7851 124.7870 65.7833 31.9449 178.9045 127 G 4.0780 8.0700 108.9627 47.9243 0.0000 176.2924 *128 E 4.0766 8.2286 122.7139 61.5370 29.8433 182.0083 *129 I 4.1098 7.9517 123.5459 65.7162 35.5210 180.7089 *130 Y 4.2947 8.4822 125.3954 62.4134 36.6951 181.3522 *131 K 4.2835 8.5540 127.9980 60.1152 31.7951 182.3366 *132 R 4.2233 8.2140 124.0202 62.1078 29.2856 182.0297 *133 W 4.2921 8.1559 126.3346 61.9239 28.2236 180.8819 *134 I 4.0470 8.2925 123.8538 65.6148 34.8111 181.1159 *135 I 4.1195 8.0892 123.9598 65.5204 35.1308 181.4765 *136 L 4.3155 8.1567 123.9565 59.2785 40.7244 182.1018 137 G 3.9057 8.1459 109.0972 48.3115 0.0000 176.2534 *138 L 4.0915 8.4466 128.0835 59.8448 40.6364 181.2251 *139 N 4.5497 8.2034 121.8623 58.3358 37.3465 179.5161 *140 K 4.4446 7.8678 128.5488 60.0884 31.7669 181.8090 *141 I 4.1044 7.9708 123.3625 65.6255 35.5151 181.9098 *142 V 4.0430 8.3504 123.6258 66.3253 31.1469 180.9040 *143 R 4.5331 7.6377 118.6053 60.3385 29.2853 181.8833 *144 M 4.8095 8.6590 121.9601 58.4884 32.9543 181.9523 *145 Y 4.7813 7.6738 119.4715 60.6792 38.3764 182.4645 *146 S 5.1177 8.3739 118.0885 59.4715 65.1725 177.1577 *147 P 4.6792 0.0000 0.0000 63.9448 30.9508 173.9497 *148 T 3.4514 9.0711 115.5477 62.1701 67.2907 174.5689 *149 S 4.8759 7.7622 120.2385 60.6975 62.6880 182.4169 *150 I 3.6502 7.3926 124.9823 63.7794 36.2730 180.3385 *151 L 4.0136 8.0663 121.4705 57.5369 40.7069 181.2299 *152 D 4.6524 10.0792 115.8944 54.3978 39.9024 182.7948 *153 I 4.2543 7.8282 120.8320 60.1633 34.5183 180.2861 *154 R 4.8846 8.1022 128.5880 54.6355 32.4890 174.4741 *155 Q 4.1944 9.0476 123.8291 54.9260 28.7657 176.2173 156 G 3.7915 8.8632 113.3749 45.3390 0.0000 173.2949 *157 P 4.4027 0.0000 0.0000 64.9844 30.7756 178.8526 *158 K 4.7023 7.8954 119.9276 54.5678 33.1560 178.3536 *159 E 4.3445 7.9139 118.8195 55.9780 30.7285 179.2535 *160 P 4.5634 0.0000 0.0000 63.7942 32.7249 175.7754 *161 F 4.3095 8.9587 126.2077 62.0995 37.9122 176.9747 *162 R 4.2184 8.1490 122.4731 62.4247 29.3281 181.6703 *163 D 4.6827 8.1900 124.1132 58.9568 39.7310 180.4722 *164 Y 4.3073 7.9813 124.0687 62.5230 36.8007 181.9673 *165 V 3.9146 8.0557 123.3294 66.7704 31.8085 181.3445 *166 D 4.6905 8.1282 124.2993 58.9281 39.2178 181.2532 *167 R 4.3681 8.1456 123.3533 61.1943 29.2418 182.0805 *168 F 4.2318 7.8148 121.7057 63.3352 38.3966 182.9357 *169 Y 4.3786 8.0728 123.7280 61.6640 36.7557 180.4886 *170 K 4.3675 8.2049 125.8259 60.8926 31.6914 184.7451 *171 T 4.4415 7.6553 116.3612 66.3691 68.3941 181.3795 *172 L 4.3226 7.8108 126.6845 60.0727 40.7658 183.3979 *173 R 4.0946 7.9663 120.8864 61.3941 29.1964 180.6349 174 A 4.2970 7.4271 121.6137 55.7071 18.3618 179.3363 *175 E 4.3757 7.9098 115.5228 57.4079 30.9561 179.0638 *176 Q 3.4645 8.8122 117.3715 56.8790 25.8253 178.5773 177 A 4.1648 8.3607 124.9058 52.5518 19.6748 179.7029 *178 S 4.5152 8.5900 124.9036 60.4868 64.4354 173.4428 *179 Q 4.3594 8.6621 123.5989 61.9755 27.2273 178.5992 *180 E 4.2815 8.2426 120.9965 61.9748 29.7856 183.7342 *181 V 3.9346 7.8566 122.7367 66.4504 31.8012 180.7905 *182 K 4.1861 8.1767 127.1533 60.3760 31.2733 181.3724 *183 N 4.5775 7.9922 119.4360 57.4925 37.5028 180.2033 184 A 4.2097 7.8013 122.1755 54.9068 18.4167 179.6691 185 A 4.0515 8.4791 122.1082 56.0036 18.7229 180.7149 *186 T 3.8957 8.2157 115.6611 66.9326 68.4034 179.9809 *187 E 4.3739 8.0766 122.3470 61.0595 29.9149 178.8416 *188 T 4.5626 8.0184 109.3999 61.9952 72.3147 181.1291 *189 L 4.1203 8.4460 125.3050 60.4775 41.2369 182.0088 *190 L 4.2734 8.0768 124.7117 60.0123 40.9455 182.1689 *191 V 4.0604 7.3192 122.2343 66.6247 31.4329 180.9526 *192 Q 4.3597 8.2668 123.2262 60.3383 28.1826 179.7477 *193 N 5.0187 8.6375 120.2146 53.6463 37.8910 176.7165 194 A 4.9228 6.9621 126.4992 52.1810 20.8492 179.1269 *195 N 4.6790 8.5226 121.9644 54.0129 39.5496 175.8063 *196 P 4.4975 0.0000 0.0000 68.9782 30.8907 180.1874 *197 D 4.6611 8.1802 122.9437 58.9692 39.7878 181.4631 *198 C 4.5963 8.2439 122.8522 60.6232 41.0516 178.2662 *199 K 3.9103 8.6272 129.4914 60.5303 31.1479 181.7576 *200 T 4.2538 7.8531 117.0279 66.5486 68.4571 180.7912 *201 I 3.9750 7.7107 125.2691 65.5864 35.3663 180.7518 *202 L 4.2773 8.4976 126.0943 60.0078 40.5642 181.9465 *203 K 4.3127 8.2348 124.5096 59.3942 31.3095 180.8535 204 A 4.1122 7.9591 122.4545 55.7570 18.4112 180.0584 *205 L 4.0462 7.7505 120.2104 57.1508 41.2189 181.3240 206 G 4.1993 7.1710 104.3429 45.9893 0.0000 172.1369 *207 P 4.2923 0.0000 0.0000 62.7909 31.1760 177.0070 208 G 4.2346 8.9931 113.0581 44.7373 0.0000 173.2542 209 A 4.4554 7.8879 123.7778 51.4903 20.4572 179.4717 *210 T 4.3951 8.1918 118.2656 62.7521 70.9716 177.3470 *211 L 4.3268 8.4914 125.0693 61.3774 40.5713 179.9878 *212 E 4.3725 8.2620 120.1295 61.4401 29.7776 182.3926 *213 E 4.3237 8.1407 119.6684 61.9843 29.4856 183.6178 *214 M 4.3554 8.1656 123.4195 60.7316 31.2859 181.7434 *215 M 4.3986 7.9064 122.9079 60.2651 31.5111 180.9791 *216 T 4.2683 7.4714 113.4748 66.0802 68.8545 179.6068 217 A 4.4981 8.1645 124.7388 54.4152 18.3962 177.5883 *218 C 5.0013 7.7095 115.7629 55.2527 41.5695 180.0316 *219 Q 4.2647 8.2880 124.7945 56.1183 27.7428 178.6393 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 8.28 4.36 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 4.17 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 8.66 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 4.66 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 8.00 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 7.01 7.16 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 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 4.29 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 0.65 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 4.53 0.00 1.92 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 4.81 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 2.39 0.00 *145 Y 7.67 4.78 0.00 2.42 2.20 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 *146 S 8.37 5.12 0.00 3.57 3.32 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 *147 P 0.00 4.68 0.00 2.03 1.30 0.00 3.70 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 1.81 1.53 0.00 *148 T 9.07 3.45 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 7.76 4.88 0.00 3.62 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 *150 I 7.39 3.65 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 0.52 0.91 0.00 0.00 *151 L 8.07 4.01 0.00 1.66 1.63 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *152 D 10.08 4.65 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 7.83 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 7.90 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 7.66 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 2.06 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 3.46 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 4.52 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 7.30 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 0.00 184 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 2.24 0.00 *193 N 8.64 5.02 0.00 2.67 2.80 0.00 0.00 6.87 7.75 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 0.00 194 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 3.91 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 4.25 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 8.50 4.28 0.00 1.70 1.62 0.92 0.94 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 4.11 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 4.46 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 4.40 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 8.16 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.