NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.2516 8.3344 115.4092 57.8725 63.9023 172.1887 *2 K 4.0233 8.4163 120.1104 56.4306 32.8708 175.7632 3 R 4.6518 8.4048 124.6125 54.3673 32.8120 174.6354 4 V 4.4874 8.0717 123.3481 60.0943 34.6100 174.2880 5 H 4.5183 8.6364 122.5343 55.1456 31.0486 175.7624 6 R 3.8554 8.4669 122.9411 59.6553 28.9536 178.7839 7 T 3.9419 7.9501 106.5257 63.2980 68.7566 174.1231 8 D 4.6265 8.1219 121.2428 54.0521 41.1813 175.9645 9 V 4.1605 7.4795 120.5235 60.3241 32.4345 175.4005 10 K 3.8610 8.5868 128.7766 56.4960 32.5182 175.6812 11 A 4.3913 8.4783 128.3802 51.8816 19.0972 176.3158 12 E 4.7973 8.7284 121.7254 54.0040 33.4065 175.8920 13 I 4.2961 8.3740 122.8869 61.6042 37.8511 176.6624 14 V 3.7844 8.3606 119.2583 61.4200 32.0201 177.0791 15 R 4.1138 8.4120 121.2543 58.0004 30.8107 176.8572 16 E 3.9344 8.2438 119.5143 55.6108 29.8313 174.2545 17 P 4.3555 0.0000 0.0000 64.0315 31.8212 176.9662 18 G 2.9552 8.6190 109.3468 45.8182 0.0000 173.5685 19 A 4.4444 7.4585 122.6927 51.8865 19.1214 177.2077 20 K 4.7280 8.8343 120.9490 55.7624 35.3402 176.5858 21 E 4.1357 9.0111 121.3901 57.9471 27.2698 173.8159 22 T 5.3158 7.9785 114.3751 62.1067 72.0727 173.6140 23 T 5.2960 8.8838 116.2234 60.2617 72.7532 172.3780 24 H 5.0101 9.2805 116.4259 54.2355 32.5964 172.7051 25 R 4.5387 8.8472 118.4219 54.1184 33.2747 175.2524 26 K 4.2462 8.4888 124.4826 56.5601 31.4338 177.1355 27 L 4.2183 8.4961 125.8855 56.9045 42.7450 177.8848 28 I 4.7498 8.0546 119.4373 59.6174 40.9715 174.6518 29 D 5.0405 9.5233 125.8615 52.3781 44.9872 175.7150 30 T 4.6922 8.3599 109.6149 63.6330 68.4939 174.4735 31 P 4.3099 0.0000 0.0000 64.6698 31.3969 176.4522 32 D 4.5229 8.1926 117.1744 54.2666 40.9817 177.3371 33 G 3.8479 8.0420 108.2659 44.6443 0.0000 173.9483 34 A 3.8650 7.8282 123.9218 52.5386 18.5236 177.2824 35 D 4.8249 8.4368 120.4036 52.8976 40.9723 176.0923 36 R 4.6288 7.6755 117.6562 57.3986 33.6939 174.9431 37 F 5.5207 7.1452 110.2275 55.3153 41.5489 174.0025 38 V 4.6925 9.3720 112.2193 59.6122 36.6817 174.2816 39 L 5.2373 8.8878 123.3300 53.8318 44.8990 175.2783 40 T 5.0680 8.9218 122.4186 61.7173 72.5895 172.3836 41 E 4.9097 8.9842 126.9819 54.7976 31.6213 174.6958 42 F 5.1101 8.7654 125.1077 55.5905 42.8985 174.0473 43 E 4.9656 8.9691 121.4968 54.7033 33.2118 174.1160 44 V 4.8177 8.9428 127.7609 61.4954 33.1042 175.6443 45 S 4.8432 9.1819 125.1228 57.0732 64.0273 172.4507 46 P 4.7890 0.0000 0.0000 63.0089 31.8172 176.1146 47 N 4.3057 8.5412 117.9570 54.5656 36.6529 174.6889 48 G 4.4323 7.8814 104.5539 45.3669 0.0000 173.5716 49 S 5.5246 8.3718 112.9704 57.7728 66.5787 174.2691 50 T 5.1094 8.6905 111.2900 58.8826 71.6758 171.8545 51 P 2.9700 0.0000 0.0000 61.6153 32.0075 174.2930 52 P 4.4405 0.0000 0.0000 63.4709 32.4848 174.9941 53 H 5.3832 8.9584 118.8381 54.4625 32.8421 171.8101 54 F 5.1629 9.0185 112.8957 55.8830 41.5006 173.1349 55 H 4.8512 8.0964 113.9058 54.1223 31.6416 172.9041 56 E 4.5925 8.4662 118.4846 55.2041 29.3349 177.2875 57 W 5.3411 7.3740 114.8917 55.1286 31.1228 175.4511 58 E 4.2344 9.1771 122.8311 56.6382 30.3505 175.5456 59 H 5.1944 8.6368 118.2361 54.2532 31.7948 173.3387 60 E 5.3376 8.8214 121.0714 54.7418 32.4774 175.0991 61 I 5.2806 9.0521 124.9254 59.6723 41.0757 173.8960 62 Y 5.0385 9.1238 126.4399 55.8697 42.0510 174.0862 63 V 4.2903 8.1144 127.4324 62.4203 32.2052 176.2488 64 L 4.4196 9.0299 128.9676 57.1430 42.5235 177.0245 65 E 4.5251 8.1218 117.5871 56.1356 33.2498 176.6620 66 G 4.2692 9.8349 112.8184 45.8065 0.0000 171.5636 67 S 5.0301 7.5915 112.8820 57.2263 66.7557 173.6211 *69 G 3.6500 8.4628 105.7898 46.0913 0.0000 171.9364 70 L 4.4731 8.8697 128.5051 53.6873 42.8814 175.5275 71 V 3.8454 8.5580 128.1757 62.8922 32.7435 174.9644 72 L 5.1139 8.9857 128.4777 51.6974 42.0567 175.1573 73 P 4.2104 0.0000 0.0000 65.5713 31.7296 178.0771 74 D 4.5229 7.9004 114.7797 55.6105 40.9480 176.5721 75 Q 4.4559 7.9784 117.3612 54.5610 29.2903 175.4525 76 G 4.0660 7.8073 105.5408 45.7108 0.0000 173.3478 77 R 4.8613 7.4517 113.1194 55.2557 33.1138 173.2424 78 T 4.9717 8.7375 115.4481 61.6914 71.8092 172.8097 79 E 4.7095 8.9399 127.8415 54.2006 31.6955 174.5040 80 E 4.4544 8.8126 128.5261 56.2882 30.5494 176.0119 81 V 4.6982 8.4293 118.8403 59.9281 35.7794 174.9404 82 G 4.4603 8.6665 109.9330 43.5259 0.0000 170.3252 83 P 4.3295 0.0000 0.0000 63.8423 31.6098 177.3624 84 G 3.7959 8.7293 110.4525 44.6254 0.0000 172.7952 85 E 4.4256 7.3597 119.4115 54.8114 31.1886 174.9918 86 A 5.0993 8.4548 126.1629 50.7833 20.8497 176.3045 87 I 4.5260 8.9812 122.7990 59.4604 40.7404 174.2052 88 F 5.2040 9.0144 129.8591 56.9451 40.8040 174.7484 89 I 4.1801 8.0795 127.6471 58.4361 39.4023 173.6953 90 P 4.2353 0.0000 0.0000 61.7350 32.9524 176.0584 91 R 3.9584 8.3776 119.1234 58.3849 30.1828 177.3790 92 G 3.9651 8.7100 111.8003 44.8419 0.0000 172.7919 93 E 4.1312 7.3439 121.1315 54.8178 30.0231 174.7017 94 P 4.8472 0.0000 0.0000 63.1658 32.2550 175.3422 95 H 5.2191 8.3741 116.8557 56.0844 32.1575 172.6581 96 G 4.0831 7.8052 105.6572 45.5601 0.0000 171.4593 97 F 5.7471 8.6418 118.2261 55.8116 42.6496 175.1333 98 V 5.3297 8.4506 119.5882 61.0696 34.3387 173.4798 99 T 4.8622 8.9371 112.3968 60.4319 72.1313 174.1626 100 G 4.1503 9.0853 111.3847 44.5495 0.0000 171.1765 101 P 4.6956 0.0000 0.0000 63.7006 31.7963 177.7379 102 G 3.8081 8.8406 108.8622 45.7499 0.0000 172.7386 103 Q 4.6451 7.6404 121.5904 54.5530 31.2056 174.4343 104 T 5.2002 8.5052 122.3186 62.0967 72.8423 172.6387 105 C 5.2349 9.0650 123.7558 58.0792 35.5904 172.4199 106 R 5.2307 9.2507 127.0307 54.5148 32.3372 174.3385 107 F 5.4411 8.7208 120.2509 55.5947 41.8545 173.2851 108 L 5.0148 9.3882 121.7184 54.1880 43.5555 175.7969 109 V 4.9684 9.1376 122.8634 61.2291 34.2499 174.1189 110 V 5.0194 9.3771 128.0299 61.5403 33.3679 174.4120 111 A 5.1658 8.9070 128.6566 49.3246 22.9363 173.4988 112 P 4.9390 0.0000 0.0000 62.8802 32.0014 176.3994 113 C 4.2177 8.5725 118.5900 62.3890 28.7276 174.2671 114 E 4.2593 8.0005 118.5397 55.0874 29.3996 176.2604 115 R 3.5977 7.8117 123.2273 52.6079 31.0414 173.4562 116 P 4.4854 0.0000 0.0000 61.4529 32.1956 175.2756 117 P 4.4467 0.0000 0.0000 62.8639 31.8234 176.9315 118 V 3.9396 8.1087 114.4173 61.2334 32.9746 175.4944 119 R 4.3653 8.4109 121.8018 54.3371 32.3949 175.2965 120 N 4.8043 8.4320 121.1356 52.8896 39.0170 175.4803 121 V 3.6768 8.5694 124.2405 65.3884 32.2644 176.1213 122 F 4.7773 7.8946 119.4931 55.6254 39.7377 174.9576 123 L 4.5048 8.3926 126.5898 53.7818 42.6390 176.5499 124 S 4.6559 8.0031 114.3758 57.5912 65.1641 175.7679 125 E 3.9901 9.0510 122.6632 59.5381 29.6516 177.1939 126 D 4.5809 8.0303 120.4621 52.9513 41.1306 174.7561 127 P 4.4836 0.0000 0.0000 64.8847 31.8032 177.1902 128 Y 4.3239 8.7155 116.9507 58.6787 38.5926 176.9522 129 E 3.9524 8.2889 121.9024 59.0011 29.9737 178.0967 130 Y 3.9198 8.3241 116.3404 60.1107 37.6043 178.0078 131 T 3.5880 6.5796 109.5274 63.2002 68.8550 174.5618 132 Q 4.2542 7.4845 121.1600 53.8979 27.7147 172.8856 *134 P 4.7470 0.0000 0.0000 63.2940 33.7530 178.8258 135 E 4.0351 8.3832 116.3320 59.6307 29.6342 178.5361 136 Y 4.1719 7.5733 118.9884 60.9671 38.7251 177.5675 137 T 3.7267 7.9714 110.4279 64.7925 68.7625 176.0973 138 S 4.1273 8.2601 116.9573 61.0258 62.8499 176.4497 139 L 3.9931 7.5686 122.1308 57.4584 41.4033 178.8519 140 L 3.9763 6.9738 118.2480 55.0374 41.5883 176.9503 141 E 4.0859 7.6829 123.1040 56.5710 29.8424 174.1458 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 S 8.33 4.25 0.00 3.97 3.87 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 0.00 0.00 0.00 *2 K 8.42 4.02 0.00 1.75 1.77 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.42 7.81 3 R 8.40 4.65 0.00 1.74 1.73 0.00 3.41 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 4 V 8.07 4.49 2.07 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 0.76 0.00 0.00 0.92 0.00 0.00 5 H 8.64 4.52 0.00 3.25 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.47 3.86 0.00 1.95 2.09 0.00 2.96 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.56 0.00 7 T 7.95 3.94 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 1.28 0.00 0.00 8 D 8.12 4.63 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.48 4.16 2.14 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 0.72 0.00 0.00 0.89 0.00 0.00 10 K 8.59 3.86 0.00 1.73 1.67 0.00 1.81 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.42 7.81 11 A 8.48 4.39 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 12 E 8.73 4.80 0.00 1.86 1.82 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 2.30 2.34 0.00 13 I 8.37 4.30 1.92 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 1.39 0.50 0.97 0.00 0.00 14 V 8.36 3.78 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 0.80 0.00 0.00 1.07 0.00 0.00 15 R 8.41 4.11 0.00 1.84 2.01 0.00 3.25 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 16 E 8.24 3.93 0.00 2.07 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 2.36 2.37 0.00 17 P 0.00 4.36 0.00 2.02 1.94 0.00 3.75 0.00 0.00 3.78 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 18 G 8.62 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 0.00 0.00 0.00 19 A 7.46 4.44 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 20 K 8.83 4.73 0.00 1.90 1.80 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.56 7.81 21 E 9.01 4.14 0.00 2.23 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 2.38 2.51 0.00 22 T 7.98 5.32 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 23 T 8.88 5.30 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 24 H 9.28 5.01 0.00 2.08 2.45 0.00 5.20 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.85 4.54 0.00 1.55 1.73 0.00 3.04 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 26 K 8.49 4.25 0.00 1.54 1.74 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.29 7.81 27 L 8.50 4.22 0.00 1.62 1.69 0.89 0.77 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 28 I 8.05 4.75 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.89 0.00 0.00 29 D 9.52 5.04 0.00 2.63 2.42 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 30 T 8.36 4.69 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 1.18 0.00 0.00 31 P 0.00 4.31 0.00 2.03 2.13 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 32 D 8.19 4.52 0.00 2.69 2.67 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 33 G 8.04 3.85 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 0.00 34 A 7.83 3.86 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 35 D 8.44 4.82 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.63 0.00 1.58 2.04 0.00 3.14 0.00 0.00 3.41 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 37 F 7.15 5.52 0.00 3.09 3.01 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 38 V 9.37 4.69 2.29 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 0.77 0.00 0.00 1.03 0.00 0.00 39 L 8.89 5.24 0.00 1.83 1.52 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.92 5.07 4.47 0.00 0.00 0.00 0.00 0.00 0.00 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 41 E 8.98 4.91 0.00 1.95 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 2.11 2.22 0.00 42 F 8.77 5.11 0.00 1.51 2.29 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 0.00 43 E 8.97 4.97 0.00 1.95 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 2.23 2.47 0.00 44 V 8.94 4.82 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 1.04 0.00 0.00 1.17 0.00 0.00 45 S 9.18 4.84 0.00 3.92 3.84 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 0.00 0.00 0.00 46 P 0.00 4.79 0.00 1.96 2.12 0.00 3.90 0.00 0.00 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 47 N 8.54 4.31 0.00 2.93 2.95 0.00 0.00 6.83 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 48 G 7.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.37 5.52 0.00 4.17 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 50 T 8.69 5.11 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 1.42 0.00 0.00 51 P 0.00 2.97 0.00 1.70 1.35 0.00 3.67 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 52 P 0.00 4.44 0.00 2.18 2.05 0.00 3.29 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.26 0.00 53 H 8.96 5.38 0.00 3.12 3.20 0.00 5.25 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.02 5.16 0.00 2.93 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 55 H 8.10 4.85 0.00 2.83 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.47 4.59 0.00 2.10 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 2.33 2.29 0.00 57 W 7.37 5.34 0.00 3.39 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 58 E 9.18 4.23 0.00 1.98 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 0.00 2.47 2.61 0.00 59 H 8.64 5.19 0.00 2.99 3.23 0.00 5.55 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.82 5.34 0.00 2.05 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 2.61 2.52 0.00 61 I 9.05 5.28 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.90 0.00 0.00 62 Y 9.12 5.04 0.00 3.14 2.84 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 0.00 0.00 0.00 63 V 8.11 4.29 2.10 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 0.98 0.00 0.00 0.80 0.00 0.00 64 L 9.03 4.42 0.00 1.81 1.81 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.12 4.53 0.00 2.09 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 2.31 2.41 0.00 66 G 9.83 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 0.00 0.00 0.00 0.00 67 S 7.59 5.03 0.00 3.91 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 *69 G 8.46 3.65 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 0.00 0.00 0.00 70 L 8.87 4.47 0.00 1.76 1.72 0.72 0.57 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 71 V 8.56 3.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.94 0.00 0.00 72 L 8.99 5.11 0.00 1.60 1.47 0.87 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.21 0.00 2.04 2.04 0.00 3.60 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 2.04 2.18 0.00 74 D 7.90 4.52 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 4.46 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 76 G 7.81 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 0.00 0.00 0.00 0.00 77 R 7.45 4.86 0.00 1.94 2.04 0.00 2.88 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 78 T 8.74 4.97 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 1.18 0.00 0.00 79 E 8.94 4.71 0.00 2.03 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 2.19 2.24 0.00 80 E 8.81 4.45 0.00 2.01 1.82 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 2.28 2.33 0.00 81 V 8.43 4.70 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 0.85 0.00 0.00 0.84 0.00 0.00 82 G 8.67 4.46 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 0.00 83 P 0.00 4.33 0.00 2.05 2.16 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 84 G 8.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.36 4.43 0.00 1.90 1.78 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 2.20 2.21 0.00 86 A 8.45 5.10 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 87 I 8.98 4.53 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.77 0.90 0.00 0.00 88 F 9.01 5.20 0.00 2.97 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 89 I 8.08 4.18 1.59 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.61 0.00 0.00 90 P 0.00 4.24 0.00 2.05 2.22 0.00 3.46 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 91 R 8.38 3.96 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 92 G 8.71 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.34 4.13 0.00 1.82 1.82 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 2.18 2.22 0.00 94 P 0.00 4.85 0.00 1.83 1.84 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.53 0.00 95 H 8.37 5.22 0.00 2.80 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.81 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 97 F 8.64 5.75 0.00 3.04 2.87 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 0.00 0.00 0.00 98 V 8.45 5.33 2.25 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 0.71 0.00 0.00 1.10 0.00 0.00 99 T 8.94 4.86 4.48 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 1.32 0.00 0.00 100 G 9.09 4.15 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 0.00 101 P 0.00 4.70 0.00 2.20 1.99 0.00 3.71 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 2.12 2.24 0.00 102 G 8.84 3.81 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 0.00 0.00 0.00 103 Q 7.64 4.65 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 104 T 8.51 5.20 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 105 C 9.06 5.23 0.00 3.17 2.84 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 0.00 0.00 0.00 106 R 9.25 5.23 0.00 1.92 1.79 0.00 3.17 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 107 F 8.72 5.44 0.00 3.26 3.01 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 0.00 108 L 9.39 5.01 0.00 1.80 1.75 0.94 0.66 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 0.00 109 V 9.14 4.97 2.49 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 1.23 0.00 0.00 1.04 0.00 0.00 110 V 9.38 5.02 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 1.01 0.00 0.00 1.03 0.00 0.00 111 A 8.91 5.17 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 0.00 112 P 0.00 4.94 0.00 2.11 2.18 0.00 4.05 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 113 C 8.57 4.22 0.00 2.88 2.97 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 0.00 0.00 0.00 114 E 8.00 4.26 0.00 1.92 1.85 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 2.23 2.24 0.00 115 R 7.81 3.60 0.00 1.10 0.66 0.00 2.21 0.00 0.00 2.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 116 P 0.00 4.49 0.00 2.28 2.11 0.00 3.87 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 2.24 2.09 0.00 117 P 0.00 4.45 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 118 V 8.11 3.94 1.75 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 0.63 0.00 0.00 0.91 0.00 0.00 119 R 8.41 4.37 0.00 0.67 0.98 0.00 2.97 0.00 0.00 2.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.18 0.00 120 N 8.43 4.80 0.00 2.55 2.84 0.00 0.00 7.00 7.68 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 0.00 121 V 8.57 3.68 1.68 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 -0.16 0.00 0.00 0.85 0.00 0.00 122 F 7.89 4.78 0.00 3.09 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 0.00 123 L 8.39 4.50 0.00 1.67 1.62 0.94 0.92 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 0.00 124 S 8.00 4.66 0.00 3.96 3.84 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 0.00 0.00 0.00 125 E 9.05 3.99 0.00 2.01 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 0.00 2.33 2.32 0.00 126 D 8.03 4.58 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.48 0.00 2.21 2.25 0.00 3.87 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 2.01 1.99 0.00 128 Y 8.72 4.32 0.00 3.10 2.89 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 0.00 129 E 8.29 3.95 0.00 2.17 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 2.31 2.26 0.00 130 Y 8.32 3.92 0.00 2.54 2.91 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 0.00 131 T 6.58 3.59 4.05 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 0.00 0.00 0.38 0.00 0.00 132 Q 7.48 4.25 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 *134 P 0.00 4.75 0.00 2.24 2.18 0.00 3.89 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 2.01 2.07 0.00 135 E 8.38 4.04 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 136 Y 7.57 4.17 0.00 2.07 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 0.00 137 T 7.97 3.73 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 1.26 0.00 0.00 138 S 8.26 4.13 0.00 4.06 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 0.00 139 L 7.57 3.99 0.00 1.59 1.70 1.11 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 L 6.97 3.98 0.00 1.62 1.61 0.76 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.68 4.09 0.00 2.14 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 0.00 2.16 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.