NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0979 8.2493 123.5840 50.9515 20.5013 173.6339 5 D 4.4189 8.5665 119.6297 51.4472 36.6119 171.7930 6 M 4.4996 8.0246 120.5592 53.8788 34.7407 173.3218 7 E 3.7760 8.4428 129.0536 55.9448 30.9796 173.8864 8 V 4.6295 8.2772 126.2592 60.4307 34.8594 173.3206 9 I 4.3282 8.1080 122.5182 58.6207 37.3372 175.1781 10 E 4.2935 8.9035 130.0358 55.1393 29.6344 177.1408 11 L 4.6332 8.1590 130.4973 51.9189 40.1576 176.6934 12 N 4.6087 9.4277 117.0656 53.7154 39.7599 173.2583 13 K 4.8629 8.1128 121.7440 55.2599 36.0524 175.2868 14 C 4.8250 7.9448 118.6416 56.9026 32.5147 172.7770 15 T 3.9899 8.8117 113.0824 65.5653 66.6907 176.7437 16 S 4.7596 7.7561 113.7110 56.9807 62.8784 173.2919 17 G 3.9268 7.3519 106.7394 47.6856 0.0000 171.4124 18 Q 4.8517 8.0668 118.5584 56.3175 31.5300 175.0227 19 S 4.9988 8.2012 124.2964 57.1360 66.7826 170.6261 20 F 5.0119 7.7642 111.8908 56.3733 40.2333 173.6153 21 E 4.4222 9.0292 124.6299 55.4115 31.1539 176.5628 22 V 4.9540 7.9086 122.8570 60.4321 31.4326 176.4321 23 I 3.6207 7.8083 116.0202 61.8343 35.8704 176.0289 24 L 4.4591 8.6449 127.7121 55.6866 43.5793 177.7882 25 K 4.4841 7.2766 125.5859 51.9063 32.9862 175.1244 26 P 4.1481 0.0000 0.0000 58.8754 32.6302 175.5171 27 P 3.9002 0.0000 0.0000 64.1672 30.9535 174.6062 28 S 3.4218 7.7183 116.8797 58.3825 62.2368 172.7534 *29 F 4.2515 8.5706 124.8932 57.3212 39.4995 172.2453 30 D 4.3629 8.7155 120.6577 54.5037 38.9281 176.8186 *45 P 4.3157 0.0000 0.0000 66.6852 33.8898 181.5611 46 S 3.7894 7.9455 118.1418 61.1660 63.2470 173.7728 47 L 3.8726 7.3314 127.6489 53.3448 41.8098 175.9143 48 E 4.1809 8.9094 124.2852 58.2119 30.0077 178.4813 49 E 3.9516 7.9472 120.3332 59.2133 30.4457 178.1526 50 I 4.3006 7.8115 118.7837 58.7907 33.5714 180.5191 51 Q 4.5812 7.6128 121.2044 54.4417 31.8965 176.9845 52 K 4.2218 8.0442 116.3731 56.8328 32.1385 178.2049 53 K 3.9935 7.8532 120.9201 58.6946 30.9966 177.7625 54 L 4.2307 7.5401 119.8565 56.2404 41.7508 177.3605 55 E 4.6834 7.9862 115.2812 56.1768 30.2226 176.8511 56 A 4.4569 7.3131 121.1874 54.4298 19.8390 179.5311 57 A 3.9681 7.7532 119.3518 55.2169 18.5659 179.0623 58 E 4.1635 7.7576 115.0220 58.1265 29.8336 178.2521 59 E 3.9468 8.0456 119.8462 59.3495 29.7148 178.4073 60 R 4.3478 7.8606 116.7610 57.7305 30.6663 178.7168 61 R 3.8666 7.6078 117.5758 59.5270 29.7139 178.7650 62 K 4.7375 7.9310 118.8868 58.7140 31.6910 178.8754 63 Y 4.3449 7.3397 118.8141 60.9573 39.0729 176.7365 64 Q 3.8584 8.1789 120.7838 59.1455 27.5710 177.9054 65 E 3.9959 8.4421 118.1084 59.3570 29.2773 178.0167 66 A 4.4559 7.3600 118.1521 51.9581 19.0223 177.1217 67 E 4.2849 8.4297 125.8964 59.4891 31.4458 178.1398 68 L 4.2524 7.1758 115.4995 54.7048 40.3497 178.7045 69 L 4.5475 7.7898 119.8874 57.5836 43.8010 177.8852 70 K 4.1287 8.0712 115.0115 57.6498 32.2215 176.1147 71 H 5.1178 8.3451 116.1488 55.6877 31.1628 174.9035 72 L 4.2491 7.5142 119.2303 57.1783 43.6793 177.6705 73 A 4.0152 9.4404 116.9739 52.8266 17.1557 176.8358 74 E 4.3883 7.6726 117.8648 58.5232 31.3888 177.8112 75 K 3.8441 7.7072 117.4804 58.1206 32.2087 178.5202 76 R 4.2172 7.7570 119.4898 57.7941 29.7957 176.6728 77 E 4.5301 8.0575 121.7756 57.5080 31.2426 177.8675 78 H 5.4507 8.0486 120.8560 57.2722 31.1516 174.6055 79 E 3.9576 8.3525 121.5266 59.5754 29.1154 178.6048 80 R 3.9139 8.1130 116.7012 59.3672 30.2642 177.4331 81 E 4.0098 9.2133 120.1567 58.7404 28.5018 181.6064 82 V 3.1801 7.7896 124.1710 65.6409 33.5570 179.9353 83 I 3.9834 7.8351 121.8308 64.5423 35.4290 179.3035 84 Q 4.7804 9.1155 120.6614 57.9468 29.9019 178.2909 85 K 4.0132 7.9566 121.5877 58.0589 31.8927 179.2569 86 A 4.6472 7.5294 119.3895 55.0702 20.0306 178.9790 87 I 3.6572 7.8207 118.2818 65.1305 36.9833 178.5349 88 E 4.0666 9.8098 119.2172 60.4412 29.3309 180.0739 89 E 4.5569 8.0610 114.8173 57.4151 30.4425 177.4629 90 N 4.5978 8.1014 119.2714 56.2652 39.4870 176.3206 91 N 4.6719 8.1049 117.6470 55.3667 37.0523 175.7548 92 N 4.5767 7.4111 113.5000 53.9630 38.5406 174.5247 93 F 4.7827 8.5434 123.7583 59.8603 41.7900 177.1240 94 I 3.2931 8.2130 123.2178 64.9328 36.8720 178.7407 95 K 4.7646 7.6625 119.3081 55.3051 32.0330 179.1012 96 M 4.4717 7.8166 120.6626 56.9298 34.3947 176.2323 97 A 4.4606 7.8008 119.0149 51.6800 19.1617 177.2659 98 K 4.1866 7.7643 120.2737 57.7224 32.8340 178.0234 99 E 4.2387 7.9957 117.9003 57.5618 31.2505 178.3000 100 K 4.1155 7.5841 119.5824 55.8304 33.3049 180.5484 101 L 4.1669 8.1508 118.9009 56.2300 41.5231 178.0480 102 A 4.1775 5.8000 115.1200 53.8099 18.6021 179.9863 103 Q 4.5489 7.7241 113.3800 54.6834 30.1884 180.1507 104 K 4.2361 9.1624 118.7221 58.9635 32.1936 177.2844 105 M 3.9948 7.9721 116.7675 56.1036 32.7601 176.1548 106 E 4.3198 7.9211 117.5538 57.1086 30.1885 177.4520 107 S 4.1458 7.8768 112.7746 61.6302 62.5251 175.1868 108 N 4.2099 7.6108 119.7026 56.4608 38.6818 176.3999 109 K 3.8556 7.8787 123.4532 60.6243 31.7338 179.0770 110 E 4.0210 7.8993 117.3825 61.6154 29.3860 179.6077 111 N 4.4110 7.9338 116.0156 56.5386 38.5218 176.9038 112 R 3.9558 8.5821 119.4590 60.0668 30.3374 178.9520 113 E 3.9269 7.9310 117.9933 58.8157 29.3389 178.6910 114 A 4.7720 7.4733 118.5427 52.2701 18.6291 177.3334 115 H 4.9341 10.7418 118.4059 57.6728 29.3724 177.5526 116 L 3.9422 7.6606 124.9309 58.7395 41.0541 183.5803 117 A 4.1447 7.8570 121.1155 55.3954 18.1993 179.7243 118 A 3.8268 7.4318 117.0121 55.0388 18.3341 179.2750 119 M 4.1241 7.3938 117.4756 58.5859 32.3872 178.4176 120 L 4.0085 8.3357 119.3960 57.7655 41.7644 178.7929 121 E 3.9932 8.6979 117.4398 57.7889 29.6553 177.1158 122 R 4.2294 7.5224 118.1992 58.1897 30.8910 178.2437 123 L 4.0564 8.7086 118.9384 58.2752 41.9215 179.0788 124 Q 4.0309 8.1280 116.3332 57.7706 28.9380 177.7669 125 E 4.4629 8.3677 116.9109 55.5823 31.4522 175.9832 126 K 4.4533 7.6750 117.5395 56.7593 32.5761 176.6172 127 D 4.7806 7.8256 119.6435 57.5935 41.4660 178.6098 128 K 4.3622 8.0907 120.7753 57.8522 31.6543 179.5931 129 H 4.8080 7.9816 120.1094 59.4467 30.2682 176.9048 130 A 3.8560 7.8579 123.4030 55.5132 18.6283 179.4602 131 E 4.1001 8.4207 119.4223 62.3227 29.8253 182.6553 132 E 4.3169 8.1499 118.6009 60.2308 29.5415 180.1253 133 V 4.4127 7.2274 110.5057 62.0114 32.6940 177.4831 134 R 4.5200 7.8427 122.3101 58.1983 31.5343 178.4873 135 K 3.8479 8.0629 120.8606 58.5405 31.7266 179.1610 136 N 4.9688 7.7023 115.9005 56.2306 40.1227 177.3094 137 K 4.2157 7.8735 127.2620 60.1163 32.5565 183.2661 138 E 4.8200 8.9916 119.7366 55.2576 28.3363 179.2205 139 L 4.6793 7.0731 117.1501 55.0094 44.0030 177.2094 140 K 4.2953 8.3815 127.5895 55.6226 32.5307 179.1430 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 4 A 8.25 4.10 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 5 D 8.57 4.42 0.00 3.05 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 6 M 8.02 4.50 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 7 E 8.44 3.78 0.00 2.11 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 2.16 2.26 0.00 8 V 8.28 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 0.77 0.00 0.00 0.93 0.00 0.00 9 I 8.11 4.33 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 1.11 0.63 0.91 0.00 0.00 10 E 8.90 4.29 0.00 1.95 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 0.00 2.31 2.47 0.00 11 L 8.16 4.63 0.00 1.58 1.62 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 12 N 9.43 4.61 0.00 2.81 3.15 0.00 0.00 6.81 6.19 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 13 K 8.11 4.86 0.00 1.74 1.67 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.46 7.81 14 C 7.94 4.82 0.00 2.86 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 15 T 8.81 3.99 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 16 S 7.76 4.76 0.00 3.82 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 G 7.35 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.07 4.85 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 19 S 8.20 5.00 0.00 3.43 3.66 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 20 F 7.76 5.01 0.00 2.99 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 21 E 9.03 4.42 0.00 2.15 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 0.00 2.32 2.27 0.00 22 V 7.91 4.95 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 0.83 0.00 0.00 1.08 0.00 0.00 23 I 7.81 3.62 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 1.30 0.69 0.91 0.00 0.00 24 L 8.64 4.46 0.00 1.58 1.67 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.28 4.48 0.00 1.75 1.56 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.24 0.99 7.81 26 P 0.00 4.15 0.00 2.19 1.96 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 27 P 0.00 3.90 0.00 2.17 2.21 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 28 S 7.72 3.42 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 4.25 0.00 2.32 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 0.00 0.00 0.00 0.00 30 D 8.72 4.36 0.00 2.68 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 *45 P 0.00 4.32 0.00 2.19 2.12 0.00 3.59 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 2.08 0.00 46 S 7.95 3.79 0.00 3.65 3.72 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 0.00 0.00 0.00 47 L 7.33 3.87 0.00 1.88 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.91 4.18 0.00 2.03 1.95 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 2.36 2.35 0.00 49 E 7.95 3.95 0.00 1.95 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 2.30 2.42 0.00 50 I 7.81 4.30 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 1.30 0.85 0.91 0.00 0.00 51 Q 7.61 4.58 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 52 K 8.04 4.22 0.00 1.83 1.82 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 53 K 7.85 3.99 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.43 7.81 54 L 7.54 4.23 0.00 1.62 1.81 0.92 0.78 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 55 E 7.99 4.68 0.00 2.08 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 2.33 2.26 0.00 56 A 7.31 4.46 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.75 3.97 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 58 E 7.76 4.16 0.00 2.03 1.95 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 2.31 2.32 0.00 59 E 8.05 3.95 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 60 R 7.86 4.35 0.00 1.93 2.01 0.00 3.21 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 61 R 7.61 3.87 0.00 1.94 1.94 0.00 3.24 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 1.64 1.68 0.00 62 K 7.93 4.74 0.00 2.20 1.91 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.50 7.81 63 Y 7.34 4.34 0.00 3.13 3.16 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 64 Q 8.18 3.86 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 65 E 8.44 4.00 0.00 2.21 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 2.29 2.48 0.00 66 A 7.36 4.46 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 67 E 8.43 4.28 0.00 1.70 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 1.98 2.11 0.00 68 L 7.18 4.25 0.00 1.70 1.52 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.79 4.55 0.00 1.85 1.60 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.07 4.13 0.00 1.76 1.79 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.38 7.81 71 H 8.35 5.12 0.00 3.15 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.51 4.25 0.00 1.83 1.62 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 A 9.44 4.02 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 74 E 7.67 4.39 0.00 2.07 1.95 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 2.23 2.26 0.00 75 K 7.71 3.84 0.00 1.84 1.78 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.34 7.81 76 R 7.76 4.22 0.00 1.87 1.78 0.00 3.16 0.00 0.00 3.15 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 77 E 8.06 4.53 0.00 1.94 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 2.32 2.36 0.00 78 H 8.05 5.45 0.00 3.20 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.35 3.96 0.00 2.29 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 2.33 2.36 0.00 80 R 8.11 3.91 0.00 1.84 1.98 0.00 3.58 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 81 E 9.21 4.01 0.00 2.25 1.67 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 2.28 2.34 0.00 82 V 7.79 3.18 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 0.80 0.00 0.00 0.93 0.00 0.00 83 I 7.84 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 1.58 1.09 0.91 0.00 0.00 84 Q 9.12 4.78 0.00 2.16 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 85 K 7.96 4.01 0.00 1.88 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.09 7.81 86 A 7.53 4.65 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.82 3.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.34 0.96 0.00 0.00 88 E 9.81 4.07 0.00 2.02 1.95 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 2.24 2.19 0.00 89 E 8.06 4.56 0.00 2.12 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 0.00 2.38 2.32 0.00 90 N 8.10 4.60 0.00 2.88 3.01 0.00 0.00 6.83 6.33 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 91 N 8.10 4.67 0.00 2.97 3.10 0.00 0.00 6.10 6.96 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 92 N 7.41 4.58 0.00 2.87 2.95 0.00 0.00 6.67 7.33 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 93 F 8.54 4.78 0.00 2.99 3.30 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 94 I 8.21 3.29 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.88 0.00 0.00 95 K 7.66 4.76 0.00 1.79 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.24 7.81 96 M 7.82 4.47 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 97 A 7.80 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.76 4.19 0.00 1.92 1.74 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.31 7.81 99 E 8.00 4.24 0.00 2.10 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 0.00 2.23 2.19 0.00 100 K 7.58 4.12 0.00 1.78 1.77 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.26 7.81 101 L 8.15 4.17 0.00 1.72 1.32 0.90 1.13 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 0.00 102 A 5.80 4.18 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 0.00 103 Q 7.72 4.55 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.99 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 104 K 9.16 4.24 0.00 1.68 2.04 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 105 M 7.97 3.99 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 106 E 7.92 4.32 0.00 2.23 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 2.32 2.29 0.00 107 S 7.88 4.15 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.61 4.21 0.00 2.65 2.94 0.00 0.00 6.72 6.15 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 0.00 109 K 7.88 3.86 0.00 1.77 1.81 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 110 E 7.90 4.02 0.00 2.04 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 0.00 2.24 2.22 0.00 111 N 7.93 4.41 0.00 2.95 2.82 0.00 0.00 6.96 7.65 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 0.00 112 R 8.58 3.96 0.00 1.91 1.91 0.00 3.14 0.00 0.00 3.17 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 113 E 7.93 3.93 0.00 2.26 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 2.38 0.00 114 A 7.47 4.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 10.74 4.93 0.00 3.34 3.30 0.00 5.61 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 0.00 116 L 7.66 3.94 0.00 1.65 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 117 A 7.86 4.14 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 0.00 118 A 7.43 3.83 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.39 4.12 0.00 2.57 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 120 L 8.34 4.01 0.00 1.88 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.70 3.99 0.00 1.89 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 2.33 2.25 0.00 122 R 7.52 4.23 0.00 1.91 1.89 0.00 3.14 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 123 L 8.71 4.06 0.00 1.94 1.69 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.13 4.03 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 125 E 8.37 4.46 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 126 K 7.67 4.45 0.00 1.74 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 127 D 7.83 4.78 0.00 2.78 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 0.00 128 K 8.09 4.36 0.00 1.83 1.69 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 129 H 7.98 4.81 0.00 3.22 3.48 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.86 3.86 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 0.00 131 E 8.42 4.10 0.00 1.99 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 2.25 2.21 0.00 132 E 8.15 4.32 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.97 0.00 133 V 7.23 4.41 2.04 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 0.94 0.00 0.00 0.89 0.00 0.00 134 R 7.84 4.52 0.00 2.04 1.91 0.00 3.15 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 135 K 8.06 3.85 0.00 1.85 1.73 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.07 7.81 136 N 7.70 4.97 0.00 2.73 3.02 0.00 0.00 7.03 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.87 4.22 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.44 1.07 7.81 138 E 8.99 4.82 0.00 1.90 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 2.12 0.00 139 L 7.07 4.68 0.00 1.59 1.48 0.92 0.72 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 0.00 140 K 8.38 4.30 0.00 1.73 1.54 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.