NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3082 0.0000 0.0000 62.8080 32.8161 175.8396 6 T 4.1925 7.8662 113.1325 60.3783 69.8414 174.0709 7 I 3.6416 8.2928 124.2553 64.4452 37.4014 177.3887 8 N 4.1758 8.1641 116.0592 57.9133 38.9524 175.6941 9 Q 3.9013 8.7681 118.0592 58.5367 28.5474 180.0477 10 L 3.7012 8.3284 119.2642 57.3497 41.7631 179.4184 11 V 3.6505 7.5055 117.1710 66.1938 31.5077 177.8329 12 R 4.0882 8.2714 117.0089 57.7158 30.3211 177.6273 13 K 3.7334 8.2959 116.4781 56.6230 30.4954 177.9907 14 G 4.1902 9.1778 107.0372 44.2161 0.0000 173.9767 15 R 4.0779 8.2415 119.5935 55.2527 30.7496 176.3451 16 E 3.9874 8.6512 124.0770 55.2513 29.8507 175.9857 17 K 3.8358 8.6407 128.1631 56.7611 32.3381 176.4134 18 V 4.0075 8.2996 121.1583 60.2631 31.5683 175.9360 19 R 4.4397 8.3698 122.1450 54.6847 30.8811 175.8469 20 K 4.6345 8.2376 119.1639 54.6530 34.9283 175.9371 21 K 4.1129 8.3149 120.5148 56.3362 33.6673 176.6729 22 S 4.2500 8.5003 116.5774 57.6985 61.9660 174.6513 23 K 3.9062 8.5750 126.8179 57.4022 32.1317 177.0891 24 V 3.9206 8.1877 115.7662 62.0981 34.7528 171.8228 25 P 4.6439 0.0000 0.0000 61.5502 29.7265 176.5489 26 A 4.2421 7.8460 119.3237 52.2354 19.5957 178.7967 27 L 3.8702 7.2048 112.0262 55.9077 41.4087 174.8787 28 K 4.1672 9.2356 116.6638 57.8971 29.4829 174.8312 29 G 4.0238 8.4306 106.4222 45.9709 0.0000 174.0113 30 A 4.0383 8.4585 122.1606 51.4130 18.9581 176.8047 31 P 3.9013 0.0000 0.0000 64.5252 31.6124 175.7026 32 F 4.9063 7.3939 112.2968 57.2233 42.8817 173.0581 33 R 4.7045 8.3678 117.3642 55.9525 34.1505 175.9735 34 R 4.8534 8.2264 125.4914 54.2646 32.7235 174.8183 35 G 4.8582 7.7314 114.1207 44.4695 0.0000 171.2770 36 V 4.6419 7.3195 121.5382 61.0135 33.9443 174.6977 37 C 4.4338 8.6815 125.4949 60.5031 27.9929 173.2999 38 T 4.2933 8.5688 118.6687 63.7112 68.2498 175.0173 39 V 4.4451 7.5008 119.1268 61.1953 35.3331 173.8736 40 V 4.8524 8.1672 125.1728 61.3578 30.9550 174.6472 41 R 4.5349 7.6599 124.6101 55.2304 32.8283 174.0429 42 T 5.0137 8.0508 106.1777 60.8697 71.7224 173.4003 43 V 4.7397 8.4953 117.3867 59.4199 36.5105 174.8695 44 T 4.5737 8.3585 111.7993 61.0542 69.7944 172.7840 45 P 4.5812 0.0000 0.0000 60.9687 32.8612 177.7128 46 K 4.3125 8.9038 130.2286 58.5923 33.1766 179.2088 47 K 4.0421 8.1794 111.9970 55.2208 33.5229 173.4577 48 P 5.0476 0.0000 0.0000 61.7712 32.1699 175.8302 49 N 4.8921 7.9487 113.4776 52.6882 42.3266 175.9731 50 S 4.5386 8.6072 118.9867 56.1831 61.5161 172.4275 51 A 4.9967 7.6901 126.5594 50.2566 22.3770 175.4184 52 L 5.0560 7.9994 110.2143 52.5565 41.6862 177.8834 53 R 4.0489 8.0798 118.0998 57.0331 31.9658 177.9044 54 K 4.4360 8.9853 123.4975 56.6018 33.3226 176.2603 55 V 5.4485 8.7125 125.4626 62.1428 34.9711 173.5536 56 A 5.6720 7.9034 126.0642 51.9816 21.6858 176.9229 57 K 4.6177 8.1012 122.4897 56.6092 33.8944 176.2979 58 V 4.7431 8.6794 121.5781 61.5610 36.0417 174.1245 59 R 4.5854 8.8895 127.2237 55.2176 29.8139 175.4245 60 L 4.5560 9.3258 128.1022 53.9811 42.9344 177.8419 61 T 4.5372 8.0070 113.4023 59.7177 65.4779 173.6219 62 S 4.8430 8.0026 117.9850 58.7721 64.7450 179.8288 63 G 4.2293 8.2461 112.4025 46.7632 0.0000 174.6582 64 Y 4.3771 7.9365 117.3505 57.8947 39.2784 174.8678 65 E 5.5607 8.5355 122.6872 53.8151 32.3744 174.8125 66 V 4.7544 8.1492 118.8998 59.2952 36.7648 175.0240 67 T 4.5320 8.5077 111.6470 62.1106 70.0795 173.0456 68 A 5.0128 9.0390 124.4754 50.5394 23.1561 174.2815 69 Y 4.6652 9.0225 123.3405 56.9580 40.4387 174.9879 70 I 4.2222 7.7704 128.4095 58.9895 35.9644 174.0178 71 P 3.5844 0.0000 0.0000 62.5555 32.0837 176.9341 72 G 3.8579 8.4689 106.3493 45.2356 0.0000 173.5793 73 E 4.1422 8.5194 120.8706 55.4232 28.7686 173.6501 74 G 4.2475 8.8036 119.4436 45.5704 0.0000 171.3052 75 H 4.9207 8.2361 118.5038 55.2640 30.9101 173.3032 76 N 4.7751 8.2256 106.6403 52.8031 38.0155 173.3766 77 L 4.8608 7.4984 120.5887 53.6903 45.8005 176.1120 78 Q 4.7273 8.7703 120.0359 53.7543 32.7179 176.4209 79 E 3.9354 8.5611 118.4513 59.0553 29.9755 177.8432 80 H 4.8990 7.8836 114.1987 54.0855 27.9723 173.6854 81 S 4.6521 7.6786 114.3437 56.2423 65.6680 174.8998 82 V 4.1369 8.4483 125.6144 63.4802 32.5497 175.6003 83 V 4.8124 8.4662 124.1069 61.4393 35.0924 171.0335 84 L 5.1914 8.4581 120.6851 53.7666 45.6310 175.5328 85 I 4.9152 8.6655 125.1684 59.5931 40.3707 174.7324 86 R 5.1915 9.4279 130.1534 54.3970 32.9221 175.3028 87 G 4.1555 8.7041 107.2001 45.5783 0.0000 173.9747 88 G 4.1367 7.7103 111.6553 46.0176 0.0000 173.5958 89 R 4.3743 8.0651 112.0760 55.9088 31.0151 174.7460 90 V 3.9920 7.5241 121.6036 61.0644 30.2920 177.8815 91 K 4.4793 8.1084 134.5608 55.1229 31.4010 176.9133 92 D 4.6711 10.2149 115.1936 53.3078 44.8173 174.0076 93 L 4.9110 7.5060 119.1825 51.7785 43.7973 173.9679 94 P 4.3262 0.0000 0.0000 64.1305 31.9523 175.0455 95 G 4.2347 9.1299 114.4619 45.7192 0.0000 172.6502 96 V 3.8505 6.8129 123.2698 62.2918 30.7031 175.6454 97 R 4.7304 8.3607 125.1829 55.1947 31.0529 175.3206 98 Y 5.0639 7.7618 113.3186 57.6104 42.4032 173.5291 99 H 5.4200 9.0943 119.7908 54.3626 32.2455 173.4643 100 I 4.5414 8.5647 121.7600 60.1911 38.2857 177.9970 101 V 3.7693 8.8894 128.4483 62.1709 28.8622 172.5601 102 R 3.7564 8.0005 121.7673 57.9531 29.6879 175.2248 103 G 4.3312 7.7979 123.3475 45.5621 0.0000 171.2473 104 V 4.0879 6.7921 118.7528 62.0702 33.8240 176.6411 105 Y 3.9423 7.9315 120.3858 58.8952 34.7627 171.9480 106 D 4.0963 8.6637 123.9465 57.5872 41.1439 176.8836 107 A 4.0691 7.3649 121.3410 52.1250 18.8007 176.0847 108 A 4.7477 8.1999 122.1900 49.9063 22.1294 176.1244 109 G 4.0071 8.2115 106.4452 45.6553 0.0000 173.6638 110 V 4.1597 7.9702 120.8215 61.6382 32.5390 175.8584 111 K 3.9800 8.7646 129.4356 57.3644 33.3463 176.1478 112 D 4.3554 8.8155 125.2057 54.9754 38.7356 173.2861 113 R 4.1205 7.4995 117.6319 56.1068 30.3082 176.2277 114 K 4.6127 8.5725 122.7918 56.1774 35.0041 176.2229 115 K 4.4760 7.4406 117.1711 55.9658 30.5626 180.2718 116 S 4.2063 8.7257 123.2162 59.8333 63.4506 174.4435 117 R 4.5277 8.2461 119.8279 56.7696 33.0759 176.5956 118 S 3.9462 8.3090 114.8861 60.5908 62.5770 173.8268 119 K 4.6224 7.9308 118.7700 55.6004 34.7923 176.2777 120 Y 3.5130 8.6003 115.0296 57.8836 36.6083 170.6430 121 G 4.1699 8.1921 106.2008 46.5392 0.0000 174.5724 122 T 4.1858 7.3870 115.2946 62.0483 66.6865 173.9875 123 K 3.9983 8.0130 124.3718 54.7061 33.2720 176.7417 124 K 3.9921 8.4421 123.3777 55.4147 31.3156 174.6531 125 P 4.2031 0.0000 0.0000 62.4205 31.3475 176.3268 126 K 4.0081 8.6153 125.2313 55.8069 32.6287 175.9954 127 E 3.9690 8.7484 125.2625 57.2760 30.2601 176.9835 128 A 4.5200 7.9917 122.8003 51.2623 19.3991 176.1190 *129 A 4.1172 8.0010 128.6027 53.0838 18.9464 177.2608 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 5 P 0.00 4.31 0.00 2.19 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 7.87 4.19 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 1.26 0.00 0.00 7 I 8.29 3.64 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 1.52 0.36 0.91 0.00 0.00 8 N 8.16 4.18 0.00 2.70 2.89 0.00 0.00 6.97 7.08 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 9 Q 8.77 3.90 0.00 2.38 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.31 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 10 L 8.33 3.70 0.00 1.89 1.64 0.92 0.80 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 11 V 7.51 3.65 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 0.83 0.00 0.00 1.00 0.00 0.00 12 R 8.27 4.09 0.00 1.82 1.98 0.00 3.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 13 K 8.30 3.73 0.00 1.72 1.57 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 G 9.18 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.24 4.08 0.00 1.81 1.88 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.65 3.99 0.00 1.92 1.87 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 2.29 2.29 0.00 17 K 8.64 3.84 0.00 1.75 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 18 V 8.30 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 0.83 0.00 0.00 0.93 0.00 0.00 19 R 8.37 4.44 0.00 1.91 1.92 0.00 3.16 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 20 K 8.24 4.63 0.00 1.85 1.81 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.32 7.81 21 K 8.31 4.11 0.00 1.87 1.85 0.00 1.45 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.48 7.81 22 S 8.50 4.25 0.00 3.88 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 23 K 8.57 3.91 0.00 1.74 1.79 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 V 8.19 3.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.28 0.00 0.00 25 P 0.00 4.64 0.00 2.52 2.18 0.00 3.98 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 26 A 7.85 4.24 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 27 L 7.20 3.87 0.00 1.87 1.70 0.34 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.24 4.17 0.00 1.78 2.08 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.37 7.81 29 G 8.43 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 30 A 8.46 4.04 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 31 P 0.00 3.90 0.00 1.99 1.83 0.00 3.63 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 2.01 2.04 0.00 32 F 7.39 4.91 0.00 2.95 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.37 4.70 0.00 2.03 1.74 0.00 3.21 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 34 R 8.23 4.85 0.00 1.94 1.75 0.00 2.91 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.97 0.00 35 G 7.73 4.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.32 4.64 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 1.00 0.00 0.00 0.86 0.00 0.00 37 C 8.68 4.43 0.00 3.08 2.86 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 0.00 0.00 0.00 0.00 38 T 8.57 4.29 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 1.34 0.00 0.00 39 V 7.50 4.45 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 0.89 0.00 0.00 0.93 0.00 0.00 40 V 8.17 4.85 2.12 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 0.95 0.00 0.00 0.96 0.00 0.00 41 R 7.66 4.53 0.00 1.89 1.83 0.00 3.24 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 42 T 8.05 5.01 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 1.24 0.00 0.00 43 V 8.50 4.74 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 0.93 0.00 0.00 0.93 0.00 0.00 44 T 8.36 4.57 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 45 P 0.00 4.58 0.00 2.17 2.26 0.00 3.78 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 2.13 2.05 0.00 46 K 8.90 4.31 0.00 2.00 1.11 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 47 K 8.18 4.04 0.00 1.82 1.51 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.50 7.81 48 P 0.00 5.05 0.00 2.16 2.03 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 49 N 7.95 4.89 0.00 2.77 2.71 0.00 0.00 6.64 7.45 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 50 S 8.61 4.54 0.00 3.81 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 51 A 7.69 5.00 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 52 L 8.00 5.06 0.00 1.50 1.60 0.94 1.03 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 53 R 8.08 4.05 0.00 1.76 1.85 0.00 3.20 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.80 0.00 54 K 8.99 4.44 0.00 1.74 1.67 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 55 V 8.71 5.45 2.12 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 1.19 0.00 0.00 1.00 0.00 0.00 56 A 7.90 5.67 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 57 K 8.10 4.62 0.00 1.73 1.73 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.44 7.81 58 V 8.68 4.74 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 0.93 0.00 0.00 0.92 0.00 0.00 59 R 8.89 4.59 0.00 1.94 1.80 0.00 3.19 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 60 L 9.33 4.56 0.00 1.66 1.51 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.01 4.54 4.21 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 1.20 0.00 0.00 62 S 8.00 4.84 0.00 3.68 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 63 G 8.25 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 64 Y 7.94 4.38 0.00 2.84 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 65 E 8.54 5.56 0.00 1.91 1.77 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 2.16 2.16 0.00 66 V 8.15 4.75 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 0.64 0.00 0.00 0.53 0.00 0.00 67 T 8.51 4.53 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 68 A 9.04 5.01 1.27 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 69 Y 9.02 4.67 0.00 2.95 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.77 4.22 1.61 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.69 0.00 0.00 71 P 0.00 3.58 0.00 1.63 1.73 0.00 3.33 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.78 0.00 72 G 8.47 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.52 4.14 0.00 2.00 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 2.29 2.34 0.00 74 G 8.80 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 0.00 0.00 0.00 0.00 75 H 8.24 4.92 0.00 3.19 3.19 0.00 5.57 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.23 4.78 0.00 2.77 2.78 0.00 0.00 5.66 7.79 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 77 L 7.50 4.86 0.00 1.71 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.77 4.73 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 79 E 8.56 3.94 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 80 H 7.88 4.90 0.00 2.96 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.68 4.65 0.00 3.80 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 82 V 8.45 4.14 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 0.55 0.00 0.00 0.82 0.00 0.00 83 V 8.47 4.81 2.12 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 0.67 0.00 0.00 0.98 0.00 0.00 84 L 8.46 5.19 0.00 1.78 1.43 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.67 4.92 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.40 1.09 0.00 0.00 86 R 9.43 5.19 0.00 1.93 1.98 0.00 3.43 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.07 0.00 87 G 8.70 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.71 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 0.00 0.00 0.00 89 R 8.07 4.37 0.00 1.80 1.78 0.00 3.06 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 90 V 7.52 3.99 1.88 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 0.75 0.00 0.00 0.36 0.00 0.00 91 K 8.11 4.48 0.00 1.72 1.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 10.21 4.67 0.00 2.69 2.46 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 93 L 7.51 4.91 0.00 1.60 1.46 0.69 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.33 0.00 2.03 1.99 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 95 G 9.13 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 96 V 6.81 3.85 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.90 0.00 0.00 97 R 8.36 4.73 0.00 1.59 1.37 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.71 0.00 98 Y 7.76 5.06 0.00 2.92 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 9.09 5.42 0.00 3.18 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.56 4.54 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.94 0.00 0.00 101 V 8.89 3.77 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 0.60 0.00 0.00 0.71 0.00 0.00 102 R 8.00 3.76 0.00 1.57 1.69 0.00 3.46 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 103 G 7.80 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 0.00 0.00 0.00 0.00 104 V 6.79 4.09 1.57 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 -0.13 0.00 0.00 0.66 0.00 0.00 105 Y 7.93 3.94 0.00 3.28 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 0.00 106 D 8.66 4.10 0.00 2.87 2.76 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 0.00 0.00 0.00 107 A 7.36 4.07 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 0.00 108 A 8.20 4.75 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 0.00 109 G 8.21 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.97 4.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.16 0.00 0.00 111 K 8.76 3.98 0.00 1.89 1.68 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.48 7.81 112 D 8.82 4.36 0.00 2.82 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 0.00 113 R 7.50 4.12 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 114 K 8.57 4.61 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.58 7.81 115 K 7.44 4.48 0.00 1.65 0.82 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.34 7.81 116 S 8.73 4.21 0.00 3.59 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 8.25 4.53 0.00 1.78 1.82 0.00 3.24 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 118 S 8.31 3.95 0.00 3.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.93 4.62 0.00 2.24 1.74 0.00 1.88 0.00 0.00 2.32 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.59 7.81 120 Y 8.60 3.51 0.00 3.18 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 0.00 121 G 8.19 4.17 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 0.00 0.00 0.00 122 T 7.39 4.19 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 1.37 0.00 0.00 123 K 8.01 4.00 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.42 7.81 124 K 8.44 3.99 0.00 1.68 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81 125 P 0.00 4.20 0.00 2.21 2.06 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.62 4.01 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 127 E 8.75 3.97 0.00 1.98 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 2.29 0.00 128 A 7.99 4.52 1.20 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 *129 A 8.00 4.12 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 * Residues marked with a * may have inaccurate shift predictions.