NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5323 8.1627 120.6245 55.4622 34.4410 173.1467 2 K 5.1025 8.5727 121.9002 54.1156 34.6859 171.7437 3 E 4.7955 9.3974 126.4785 54.5437 33.8965 174.4151 4 V 4.5280 8.4514 123.7822 61.6999 32.5246 175.1604 5 I 4.3866 8.6203 129.8118 60.6977 38.3754 175.8503 6 F 4.7991 8.5149 127.4266 57.2504 41.7896 173.3025 7 T 4.3038 8.7413 122.8774 59.9696 69.8757 173.8283 8 E 4.0184 8.4447 127.1309 57.4483 29.9347 176.7316 9 N 4.5278 7.8657 114.2567 54.6431 39.0072 174.4597 10 A 4.7637 7.1135 119.9499 48.8978 22.2708 174.1054 11 P 4.2333 0.0000 0.0000 62.6775 31.7625 176.5905 12 K 4.2670 8.6133 124.9856 55.2230 32.7081 174.4038 13 P 4.2466 0.0000 0.0000 62.6631 31.3266 176.5448 14 I 3.8229 8.3966 124.9175 63.2970 37.6223 176.4517 15 G 4.0985 7.6006 108.5839 44.1798 0.0000 171.8937 16 P 4.6202 0.0000 0.0000 62.7590 31.3219 174.7394 17 Y 4.7584 7.5488 116.6956 55.8795 40.4045 174.3894 18 S 4.8634 8.2967 115.1892 56.5950 65.7001 174.6981 19 Q 4.3971 8.7627 120.6439 59.2267 29.6217 176.3325 20 A 5.0429 7.5654 116.4926 51.2195 22.6785 175.2933 21 I 4.9361 8.5613 121.1487 59.3849 40.9042 174.4396 22 K 5.0706 9.4007 128.6385 54.8885 34.1544 174.7647 23 A 5.0030 9.0951 129.3899 50.3366 21.4493 175.2160 24 G 3.9169 8.8776 113.0812 47.7296 0.0000 174.2463 25 N 4.6043 8.9107 120.5404 53.4296 39.1472 174.0386 26 F 5.2480 8.3374 118.5539 55.9526 41.5165 174.4967 27 L 4.9507 8.6307 124.3169 53.2235 44.9657 174.9720 28 F 4.9244 9.2021 125.2912 55.9298 40.8207 174.4597 29 I 4.8294 8.4628 125.7611 59.8114 38.4335 176.0742 30 A 4.4443 8.9745 129.6772 51.4720 19.3008 177.4225 31 G 3.8226 8.5826 106.7172 46.4329 0.0000 172.7830 32 Q 4.9800 9.2058 124.5216 54.1297 31.1444 175.0925 33 I 4.8464 8.2358 116.8468 57.4339 40.8478 174.8677 34 P 4.6577 0.0000 0.0000 62.5271 29.6683 175.7398 35 I 4.5443 7.6617 120.0673 61.2843 39.1676 175.8527 36 D 4.6853 8.6173 127.1631 52.4348 41.5465 175.2649 37 P 4.3615 0.0000 0.0000 65.8106 31.5338 177.9119 38 K 4.0880 8.2504 117.8082 58.7536 32.1193 177.6840 39 T 4.1582 8.0508 111.5468 61.6890 68.2179 175.3592 40 G 4.0303 9.1672 108.7363 44.6367 0.0000 172.3955 41 E 4.8613 7.5636 116.6640 53.7896 33.3799 175.2928 42 I 4.2073 8.3705 121.7227 62.0459 37.8092 176.7173 43 V 4.0444 8.1987 120.3460 60.0924 32.9234 175.8416 44 K 3.8960 8.8076 120.3597 57.2122 32.3452 177.6340 45 G 4.0212 8.4912 108.3951 46.0116 0.0000 173.7930 46 D 4.5313 7.6828 119.0801 53.4483 42.9351 176.9243 47 I 3.6586 8.3887 126.0216 64.1484 38.1475 178.0760 48 K 4.0268 9.2809 121.2194 59.4056 32.0251 178.7083 49 D 4.3587 8.1460 118.7377 57.5283 40.8361 178.5850 50 Q 4.0139 8.2918 118.6540 59.2283 28.7178 178.8994 51 T 3.8655 7.9932 116.7677 66.7976 68.5128 176.6866 52 R 3.9181 7.9890 120.2356 59.1341 30.1169 178.4363 53 Q 4.0550 7.9883 119.7163 59.1840 29.2228 178.1924 54 V 3.6053 7.9747 119.4318 66.0039 31.5188 177.9414 55 L 3.7910 7.7295 118.6311 57.2676 41.2447 179.2031 56 E 3.9962 7.9798 118.8340 59.1917 29.2922 179.0632 57 N 4.2877 8.0241 116.4126 56.4480 38.5932 177.4262 58 I 3.6969 7.5032 120.6745 64.2280 37.1041 178.3937 59 K 3.8900 8.0282 120.1304 59.3467 31.9929 178.6601 60 A 3.9566 8.1211 121.1740 55.3180 18.3765 179.5757 61 I 3.5966 8.0246 118.6085 64.4847 37.0977 178.4665 62 L 4.0089 8.1092 119.8621 58.1409 41.3912 179.5733 63 E 3.9768 8.4525 118.1228 59.4249 29.1582 179.3657 64 A 4.0511 8.1516 119.8095 54.6284 18.5367 178.7526 65 A 4.3906 7.9806 117.2665 52.6252 18.8330 178.1147 66 G 3.7789 7.9475 105.2841 45.8223 0.0000 172.7386 67 Y 4.7559 8.1799 116.3371 55.6686 41.1533 174.4903 68 S 4.9152 9.3628 115.0194 56.0381 65.7758 175.2204 69 L 4.1016 8.3901 119.6049 57.7068 41.3567 178.7495 70 N 4.6283 7.7173 114.2128 54.9223 39.2027 174.9071 71 D 4.7362 8.2492 117.0034 55.0819 41.6482 176.3237 72 V 4.1938 7.5132 120.4831 62.6902 32.1370 175.2786 73 I 4.4402 8.7356 120.1743 61.1352 40.5072 175.3755 74 K 5.0304 7.7008 123.3437 54.7787 35.8319 174.9947 75 V 4.8774 8.9752 126.5250 61.3856 35.4874 174.0182 76 T 4.8654 8.8970 123.1860 61.6359 71.8507 172.8946 77 V 4.6203 8.4947 126.4856 61.1472 34.4674 173.6795 78 Y 5.0193 9.1242 125.6882 56.4439 40.1421 174.8199 79 L 5.1805 8.9153 124.6146 53.0909 44.4399 177.3065 80 K 4.2241 8.5656 122.0307 57.5209 33.4908 176.3589 81 D 4.7960 7.9722 121.5471 52.9849 43.8615 176.3273 82 M 4.0806 10.0883 128.7971 58.1299 31.5899 174.0186 83 N 5.1769 8.6101 117.4315 53.4675 37.7069 180.0065 84 D 4.7978 7.9036 116.9901 53.5136 42.0299 179.6554 *85 F 4.4788 8.2548 118.7470 60.5799 37.4664 181.0953 86 A 4.5058 7.7844 123.0249 55.8583 20.1199 180.6275 87 K 3.9945 7.8922 121.3523 59.7763 31.7714 180.9579 88 M 4.3271 7.9430 117.4827 58.9619 31.9409 177.4593 89 N 4.5276 7.5941 116.1048 55.4561 38.8230 176.3906 90 E 4.0283 7.6056 120.3755 59.7665 30.1536 178.2426 91 V 4.7177 7.4824 118.7559 65.2632 31.5785 177.1389 92 Y 4.0982 8.2806 119.3142 60.9326 38.6362 178.1556 93 A 4.2271 8.0360 120.1849 55.3642 18.3822 179.4618 94 E 3.8773 8.3540 117.1314 59.0353 29.1961 178.4872 95 Y 3.9650 7.6394 114.9355 58.4787 39.0735 176.3589 96 F 5.0647 7.9421 116.8288 57.1471 39.6392 177.3873 97 G 3.8152 8.2052 111.6154 47.3203 0.0000 174.8471 98 E 4.4724 8.1614 116.7954 57.1419 31.1305 177.1870 99 S 4.3330 8.2793 112.7448 58.4981 64.2878 174.1579 100 K 3.8609 8.0637 117.2321 56.8183 29.2648 171.7018 101 P 4.5946 0.0000 0.0000 61.7697 33.1186 176.6098 102 A 4.2878 8.9537 123.2316 52.0410 19.3789 176.8311 103 R 5.0841 8.4105 120.5759 54.4875 33.9910 174.3838 104 V 4.4396 8.3952 122.8825 60.9501 34.6522 173.9777 105 A 5.1245 8.5818 128.9855 50.0700 21.3497 175.2813 106 V 4.4987 8.4881 121.2817 60.1084 35.6245 173.5960 107 E 4.9800 8.7561 122.8250 55.0039 30.7874 175.4088 108 V 4.4342 8.5136 120.0501 59.6389 34.4582 176.5781 109 S 4.2284 8.7737 117.5112 61.1843 62.9043 174.8273 110 R 4.6725 7.4792 117.4906 54.7569 33.2025 173.7081 111 L 4.8042 8.0774 121.4826 51.6940 45.2210 174.2462 112 P 4.3476 0.0000 0.0000 64.6347 31.6399 176.7332 113 K 3.6352 9.5382 118.8918 56.9714 29.7797 174.9365 114 D 4.4607 8.3136 115.1254 55.0564 39.9482 174.0821 115 V 3.9174 7.4378 110.5671 61.2162 32.2900 175.8598 116 L 4.4918 9.0842 119.8386 56.2642 42.8265 176.9075 117 I 5.0858 7.4829 117.1659 59.6470 40.8658 173.4520 118 E 5.0255 9.4120 128.5721 54.6287 33.3478 174.0796 119 I 5.2083 8.7290 126.5547 59.5118 41.0108 174.1893 120 E 5.1492 9.1605 124.4237 54.7584 32.7757 174.7809 121 A 5.1813 8.2986 121.1935 50.7381 23.4247 175.0148 122 I 4.9268 8.9654 120.1755 59.3811 40.6936 174.7970 123 A 5.2116 8.6735 127.0931 50.2793 22.7541 174.1610 124 Y 5.0197 9.1599 120.0603 55.6517 42.0773 174.4914 125 K 4.2167 7.7832 126.7702 54.0403 34.7479 175.7784 126 E 3.6991 8.3393 125.4655 56.5878 29.3972 176.6648 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 M 8.16 4.53 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.64 0.00 2 K 8.57 5.10 0.00 1.89 1.67 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.70 7.81 3 E 9.40 4.80 0.00 2.03 1.84 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 2.26 2.30 0.00 4 V 8.45 4.53 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 0.85 0.00 0.00 0.97 0.00 0.00 5 I 8.62 4.39 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.61 0.93 0.00 0.00 6 F 8.51 4.80 0.00 2.97 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.74 4.30 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 1.05 0.00 0.00 8 E 8.44 4.02 0.00 1.93 1.91 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 2.32 2.41 0.00 9 N 7.87 4.53 0.00 2.70 2.80 0.00 0.00 6.65 7.20 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 10 A 7.11 4.76 1.12 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 0.00 0.00 11 P 0.00 4.23 0.00 2.09 2.06 0.00 3.69 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 2.05 2.21 0.00 12 K 8.61 4.27 0.00 1.92 1.80 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.58 7.81 13 P 0.00 4.25 0.00 1.30 1.35 0.00 4.01 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 1.80 1.85 0.00 14 I 8.40 3.82 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.55 0.92 0.00 0.00 15 G 7.60 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 0.00 0.00 0.00 16 P 0.00 4.62 0.00 2.23 2.17 0.00 3.89 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 17 Y 7.55 4.76 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.30 4.86 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.76 4.40 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 20 A 7.57 5.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.56 4.94 1.99 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 1.20 1.02 0.99 0.00 0.00 22 K 9.40 5.07 0.00 1.91 1.78 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.73 7.81 23 A 9.10 5.00 1.42 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 0.00 0.00 24 G 8.88 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.91 4.60 0.00 2.60 2.36 0.00 0.00 6.79 8.13 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 26 F 8.34 5.25 0.00 3.32 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.63 4.95 0.00 0.67 0.67 0.88 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 28 F 9.20 4.92 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.46 4.83 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.95 1.00 0.00 0.00 30 A 8.97 4.44 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.58 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.21 4.98 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.61 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 33 I 8.24 4.85 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.67 0.94 0.00 0.00 34 P 0.00 4.66 0.00 2.15 2.32 0.00 3.71 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 35 I 7.66 4.54 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.93 0.00 0.00 36 D 8.62 4.69 0.00 2.80 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 37 P 0.00 4.36 0.00 2.20 2.16 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 38 K 8.25 4.09 0.00 1.80 1.92 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.52 7.81 39 T 8.05 4.16 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 40 G 9.17 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 0.00 0.00 0.00 41 E 7.56 4.86 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 42 I 8.37 4.21 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.92 0.00 0.00 43 V 8.20 4.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.94 0.00 0.00 44 K 8.81 3.90 0.00 1.82 1.78 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.49 7.81 45 G 8.49 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 7.68 4.53 0.00 2.78 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 47 I 8.39 3.66 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.08 0.93 0.00 0.00 48 K 9.28 4.03 0.00 1.85 1.90 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.52 7.81 49 D 8.15 4.36 0.00 2.88 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 50 Q 8.29 4.01 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 51 T 7.99 3.87 4.42 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 1.29 0.00 0.00 52 R 7.99 3.92 0.00 1.99 2.17 0.00 3.14 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 53 Q 7.99 4.06 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 54 V 7.97 3.61 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 1.02 0.00 0.00 1.05 0.00 0.00 55 L 7.73 3.79 0.00 1.43 0.17 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.98 4.00 0.00 2.16 2.00 0.00 0.00 0.00 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 2.55 0.00 57 N 8.02 4.29 0.00 2.90 2.85 0.00 0.00 7.00 7.15 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 58 I 7.50 3.70 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.76 0.99 0.00 0.00 59 K 8.03 3.89 0.00 1.97 2.03 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.25 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.50 7.81 60 A 8.12 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.02 3.60 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.90 0.91 0.00 0.00 62 L 8.11 4.01 0.00 2.00 1.80 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.45 3.98 0.00 2.19 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 2.34 2.47 0.00 64 A 8.15 4.05 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 65 A 7.98 4.39 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.95 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 67 Y 8.18 4.76 0.00 2.99 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 68 S 9.36 4.92 0.00 3.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.39 4.10 0.00 1.73 1.84 0.87 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 N 7.72 4.63 0.00 3.10 2.87 0.00 0.00 7.16 8.35 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 71 D 8.25 4.74 0.00 3.15 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.51 4.19 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 0.43 0.00 0.00 1.15 0.00 0.00 73 I 8.74 4.44 1.87 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 1.00 0.00 0.00 74 K 7.70 5.03 0.00 1.77 1.59 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.39 7.81 75 V 8.98 4.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.52 0.00 0.00 76 T 8.90 4.87 4.07 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 0.00 0.00 0.64 0.00 0.00 77 V 8.49 4.62 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 0.93 0.00 0.00 0.86 0.00 0.00 78 Y 9.12 5.02 0.00 2.99 2.81 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 79 L 8.92 5.18 0.00 1.58 1.56 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.57 4.22 0.00 1.81 1.84 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.38 7.81 81 D 7.97 4.80 0.00 2.69 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 M 10.09 4.08 0.00 1.94 2.06 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 2.36 0.00 83 N 8.61 5.18 0.00 2.73 2.72 0.00 0.00 6.66 8.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.90 4.80 0.00 2.66 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 *85 F 8.25 4.48 0.00 2.28 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 0.00 0.00 0.00 0.00 86 A 7.78 4.51 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 87 K 7.89 3.99 0.00 1.77 1.84 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 88 M 7.94 4.33 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 89 N 7.59 4.53 0.00 3.16 2.90 0.00 0.00 6.91 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 7.61 4.03 0.00 1.99 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 0.00 2.35 2.39 0.00 91 V 7.48 4.72 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 1.27 0.00 0.00 1.06 0.00 0.00 92 Y 8.28 4.10 0.00 3.31 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 93 A 8.04 4.23 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 94 E 8.35 3.88 0.00 2.11 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 95 Y 7.64 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 7.94 5.06 0.00 2.61 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.21 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.16 4.47 0.00 2.08 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 0.00 2.22 2.22 0.00 99 S 8.28 4.33 0.00 4.09 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 0.00 100 K 8.06 3.86 0.00 1.91 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.48 1.46 7.81 101 P 0.00 4.59 0.00 1.70 1.78 0.00 3.62 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 1.03 1.73 0.00 102 A 8.95 4.29 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 0.00 103 R 8.41 5.08 0.00 1.72 1.67 0.00 2.84 0.00 0.00 2.79 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.60 0.00 104 V 8.40 4.44 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 0.87 0.00 0.00 0.88 0.00 0.00 105 A 8.58 5.12 1.07 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 0.00 0.00 0.00 0.00 0.00 106 V 8.49 4.50 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 0.79 0.00 0.00 0.97 0.00 0.00 107 E 8.76 4.98 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 108 V 8.51 4.43 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 0.85 0.00 0.00 1.05 0.00 0.00 109 S 8.77 4.23 0.00 3.84 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 0.00 110 R 7.48 4.67 0.00 1.70 1.71 0.00 3.17 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 111 L 8.08 4.80 0.00 1.85 1.50 1.06 1.07 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 0.00 112 P 0.00 4.35 0.00 2.16 2.00 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 113 K 9.54 3.64 0.00 1.88 1.89 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.48 7.81 114 D 8.31 4.46 0.00 2.82 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 0.00 115 V 7.44 3.92 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 0.77 0.00 0.00 1.04 0.00 0.00 116 L 9.08 4.49 0.00 1.65 1.72 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 117 I 7.48 5.09 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.82 0.94 0.00 0.00 118 E 9.41 5.03 0.00 2.10 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 2.31 2.31 0.00 119 I 8.73 5.21 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 1.06 0.00 0.00 120 E 9.16 5.15 0.00 2.11 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 0.00 2.26 2.28 0.00 121 A 8.30 5.18 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.97 4.93 1.80 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.83 0.69 0.00 0.00 123 A 8.67 5.21 0.94 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 0.00 0.00 124 Y 9.16 5.02 0.00 2.54 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 0.00 125 K 7.78 4.22 0.00 0.98 1.11 0.00 0.76 0.00 0.00 1.20 0.00 0.00 2.48 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.95 0.91 7.81 126 E 8.34 3.70 0.00 1.87 1.81 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 2.36 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.