NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4198 8.3344 116.7973 58.5028 64.3216 172.2327 2 V 4.1943 8.1048 121.4270 60.9543 33.1795 171.5945 3 E 4.8836 9.5453 126.5950 54.8808 33.5071 174.5952 4 M 5.0831 8.4680 120.7348 54.1612 35.7904 174.3134 5 T 4.8405 9.2799 121.8814 62.0119 70.7655 173.8529 6 Q 5.1529 8.7202 125.4473 53.5198 30.7927 175.1162 7 S 4.8066 8.7914 120.3552 56.2491 65.5042 172.5284 8 P 5.0075 0.0000 0.0000 62.0248 32.9913 175.0898 9 S 4.9202 8.8428 111.0928 60.9940 64.0153 174.0200 10 S 5.6290 7.7430 111.8653 56.9755 66.7204 173.6323 11 F 5.0923 8.4684 121.1884 57.5100 42.2639 172.9294 12 S 5.1800 9.0488 123.3740 58.1130 63.4714 174.0025 13 V 4.4089 9.2615 117.3562 59.9400 36.7472 174.1906 14 S 5.0100 8.7126 116.7940 56.3882 66.4706 174.2838 15 L 4.1433 8.3180 121.7663 56.0797 41.6392 177.1377 16 G 3.9549 9.0551 110.7903 45.5687 0.0000 173.7469 17 D 4.5858 7.5611 118.7145 54.2122 42.4183 175.0497 18 R 4.9513 8.2413 119.8916 54.7982 31.9442 175.2645 19 V 4.4489 8.5344 125.2599 61.3076 34.7809 174.0925 20 T 5.0904 8.6809 123.2604 61.8106 71.4932 173.2044 21 I 4.6203 8.7026 126.8219 59.8392 39.9638 174.5759 22 T 5.1023 8.5204 122.4002 62.1133 71.3648 173.9808 23 C 5.4256 9.3361 125.1636 54.8007 42.6674 172.3210 24 K 5.3392 9.3198 127.5531 54.6161 34.5336 174.3919 25 A 5.2422 9.0167 129.7018 50.3212 20.6212 178.0957 26 S 4.1925 8.8821 116.8240 60.9291 63.4464 174.1084 27 E 4.5927 7.6988 116.3554 54.3852 32.3084 174.0324 28 D 4.2473 8.6336 119.4852 55.2448 41.2037 175.9663 29 I 3.6884 7.9657 119.5710 60.4556 38.2469 175.7975 30 Y 3.3303 7.8086 116.2496 60.0711 35.1054 171.8953 31 N 4.2924 8.1689 113.4875 54.4637 38.0064 175.7535 32 R 4.2170 7.4308 120.0163 54.5171 28.4290 174.7701 33 L 4.8168 7.1505 122.2652 52.7342 45.9541 175.0425 34 A 5.3676 9.0008 126.1737 50.1053 23.1019 174.8247 35 W 5.4792 9.2348 118.5085 55.2177 33.3307 174.3501 36 Y 5.3537 9.9412 121.3247 56.3313 41.7168 174.1208 37 Q 4.7639 9.3537 124.5134 54.3975 32.4485 174.3304 38 Q 4.6970 8.7398 126.5744 54.7818 32.2417 173.7253 39 K 4.6255 8.7127 126.2014 54.5260 33.6035 175.1305 40 P 4.0269 0.0000 0.0000 64.3285 31.8690 176.4241 41 G 3.9927 8.8021 110.5150 46.0123 0.0000 172.8301 42 N 4.9027 7.6955 112.6722 51.3219 42.9325 174.9585 43 A 4.1812 8.2690 123.5402 51.2482 19.2498 175.9653 44 P 4.6503 0.0000 0.0000 62.8678 32.5011 175.6959 45 R 4.6763 9.1917 123.4505 54.3759 32.4579 174.6719 46 L 4.1168 8.6976 128.7743 55.3781 42.4805 175.1544 47 L 4.5024 9.4364 126.0256 56.0534 43.6271 176.2680 48 I 5.3104 7.6799 118.6980 59.4593 41.2880 174.2588 49 S 5.0840 9.1600 119.5800 56.4005 66.9188 173.5695 50 G 4.3269 9.8806 106.5592 46.1480 0.0000 175.5660 51 A 4.1733 8.6929 128.1295 52.9995 18.4447 179.3260 52 T 4.6065 7.7501 100.2745 61.0271 70.3650 173.5763 53 S 4.6273 8.6279 120.8229 57.5576 63.8200 173.8407 54 L 4.6336 8.5109 125.3109 54.6392 42.3051 177.0797 55 E 4.3426 9.0616 122.0825 55.8635 30.9662 176.6566 56 T 3.8779 8.2180 116.0695 63.4373 68.0464 173.8553 57 E 4.1729 8.8787 124.8983 56.3480 28.0833 175.6402 58 V 3.7108 7.0622 118.6160 61.5599 32.3527 173.9877 59 P 4.4738 0.0000 0.0000 62.6896 31.7478 177.5917 60 S 4.3061 8.7650 116.9393 61.0021 63.1351 175.3617 61 R 4.0568 8.0912 117.0417 57.7077 29.8506 176.0188 62 F 5.3538 7.9018 118.9538 56.4089 41.0455 175.3413 63 S 4.6770 8.8558 115.0111 57.4735 66.3449 173.7184 64 G 4.5583 8.3043 108.2710 45.0248 0.0000 171.4532 65 S 4.6169 8.9844 113.7934 57.6691 66.9244 172.1290 66 G 3.2949 8.7287 104.2291 46.3999 0.0000 172.5896 67 S 4.3498 7.8014 112.3755 58.6202 67.4840 180.9524 68 G 3.7188 8.4325 115.9170 46.0306 0.0000 174.7013 69 K 4.6374 8.7504 124.3591 55.7134 36.0791 175.9504 70 D 5.2819 7.8759 121.3637 52.7305 42.8343 175.1016 71 Y 5.4701 9.0327 121.0257 56.6633 42.5917 174.7027 72 T 5.4326 9.5263 111.5636 60.2016 73.1693 172.1270 73 L 4.6669 8.2497 123.8760 53.1749 45.0717 175.2828 74 S 5.6730 9.1319 120.9105 55.7519 67.1704 172.8716 75 I 4.5349 7.9304 124.5050 59.5102 38.9154 176.5441 76 T 3.7571 8.9574 119.2543 64.3303 69.4880 174.8666 77 S 4.5180 7.5822 116.7393 55.6588 65.0507 173.0992 78 L 4.0077 8.7496 126.8911 55.7962 43.0198 175.4850 79 Q 4.8379 9.0109 125.6690 54.2627 32.8745 175.7108 80 T 3.8894 8.8156 113.5005 65.0675 68.5056 175.9913 81 E 4.1814 8.2828 119.5503 58.2490 29.5211 177.2265 82 D 4.8915 8.1642 117.4645 54.5097 41.6118 176.5742 83 V 4.0058 8.0999 120.2120 63.4288 31.7311 174.5543 84 A 4.5560 8.4857 129.4737 52.0316 22.6124 173.9103 85 T 4.9718 8.1230 112.8979 62.4953 71.0758 173.9684 86 Y 5.1927 9.0540 123.0032 56.4640 41.3207 174.2652 87 Y 5.6313 9.7546 121.8193 56.4485 41.6661 172.5423 88 C 4.8835 9.4848 118.0189 54.0990 40.7889 172.4144 89 Q 4.9220 8.4586 120.4768 54.9562 32.7634 172.7878 90 Q 4.6039 8.7783 128.1818 54.6413 30.7343 175.0320 91 Y 4.8180 7.7199 123.9594 55.6130 38.5644 176.7709 92 W 4.3183 8.5757 131.9077 60.4186 30.9860 175.8037 93 S 4.0744 8.7176 114.0792 56.6383 63.6458 175.0369 94 T 2.4800 7.3050 122.2796 61.9910 68.4189 172.2914 *96 W 5.1104 8.3915 118.1572 56.8415 30.4949 174.6703 97 T 4.7865 8.5553 119.4180 62.0753 72.3752 173.1849 98 F 5.1746 9.0424 123.8871 56.0103 41.6397 175.7294 99 G 4.0348 9.0658 109.2068 45.0203 0.0000 175.2229 100 G 3.6990 8.7928 108.6368 47.1499 0.0000 174.9012 101 G 3.5997 8.2131 104.1743 44.9658 0.0000 172.6649 102 T 4.9482 8.4078 116.6881 61.5453 72.5128 172.8337 103 K 4.8582 9.4487 129.5239 55.2319 33.9003 175.3631 104 L 4.9909 8.7842 128.0780 54.1936 42.6126 175.8721 105 E 4.9656 9.1098 124.0930 54.3079 33.2677 174.2029 106 I 5.4835 8.8362 118.9755 58.6217 39.5572 175.6606 107 K 4.9097 8.7234 124.0268 56.2296 33.0237 176.0905 108 R 4.1304 7.3047 117.4377 55.0538 31.6545 174.0663 109 A 4.0646 8.2337 121.2427 52.0243 18.7301 177.0945 110 D 5.0186 8.9138 122.1839 55.0546 41.5997 175.9210 111 A 4.9654 9.3838 124.6713 49.9770 22.5287 174.6794 112 A 4.7929 8.7192 123.4864 50.4795 19.9654 175.4250 113 P 4.7240 0.0000 0.0000 63.0589 32.3289 176.1949 114 T 4.2527 8.8325 122.5599 62.9931 69.2597 173.8242 115 V 5.0745 8.2509 127.0881 61.2748 33.1298 175.3697 116 S 4.5349 8.6858 122.6484 56.9779 66.3632 173.0665 117 I 4.5990 8.1220 124.7480 59.3814 39.5929 174.6131 118 F 4.8176 8.1681 122.3855 55.4901 43.0634 173.7487 119 P 4.3702 0.0000 0.0000 62.0934 30.8433 178.0681 *134 C 4.5757 7.7911 118.2204 56.4413 46.0300 173.1035 135 F 4.8470 8.9519 126.4549 57.2929 40.1251 175.1586 136 L 5.1968 9.2674 124.7978 53.0879 42.4212 174.5966 137 N 5.1172 8.9468 121.0190 51.9845 41.2422 173.8487 138 N 4.3907 8.4352 118.2538 54.3349 36.2859 172.0899 139 F 5.3992 7.7439 115.1579 55.4370 42.7448 174.6180 140 Y 4.9269 8.7314 115.8151 56.2481 42.6083 172.6760 141 P 3.1778 0.0000 0.0000 61.9827 32.0997 175.6585 142 K 3.6988 8.1304 117.4207 59.2616 32.9597 177.3792 143 D 4.4188 7.8361 118.5822 54.4587 41.3198 175.3104 144 I 4.1367 7.5055 118.7196 60.4062 40.6648 172.9073 145 N 5.1291 8.0619 123.2385 51.6439 42.3864 174.0130 146 V 4.5002 8.5377 122.5054 61.3379 34.7514 175.3326 147 K 4.2681 8.7682 122.0933 55.0428 34.6780 177.6074 *158 G 3.9048 8.7916 114.4506 44.9404 0.0000 171.5137 159 V 4.5071 7.2670 116.7623 60.4370 34.2707 173.1539 160 L 4.9164 8.1635 119.5911 53.1444 45.9543 175.0830 161 N 5.9755 8.9402 118.5031 50.5492 41.6872 173.9087 162 S 4.8561 7.8855 115.3962 56.3400 66.7937 172.6693 163 W 5.3866 9.1236 120.1655 55.2897 32.6317 175.0390 164 T 4.6116 8.8183 113.3801 60.5786 70.3612 174.0311 165 D 4.7897 8.5114 121.3752 53.1078 41.8923 176.5065 166 Q 3.3824 8.6456 122.2518 56.1705 29.6093 176.1423 167 D 4.3965 8.9363 125.8923 54.1824 41.8080 177.3034 168 S 4.1893 8.5269 120.7581 61.0688 63.6742 175.9578 169 K 3.9900 8.3099 120.5451 58.5469 31.8806 176.9862 170 D 4.6084 7.8595 119.7650 51.3084 41.3107 175.3860 171 S 4.6097 8.7782 124.7402 58.2530 62.2992 172.7911 172 T 4.7393 7.1531 112.1187 60.1821 72.7702 174.0094 173 Y 4.9196 8.3785 118.2195 56.4490 42.2695 174.8549 174 S 5.3859 8.6165 115.1750 58.1144 68.1947 173.1690 175 M 5.1301 9.4081 117.4713 54.6084 34.6775 173.8156 176 S 4.9587 8.7732 116.4361 58.2384 67.0887 172.5942 177 S 5.7362 8.6329 118.0379 58.8679 67.2899 176.8136 *193 T 4.3429 9.1370 112.2068 62.5096 70.6080 174.7668 194 C 5.0371 8.7710 122.3648 55.0106 47.8979 172.5806 195 E 5.9502 9.1439 122.7888 53.8131 33.3421 174.0335 196 A 5.1210 8.3241 121.0589 51.0606 22.0257 176.0125 197 T 4.4198 8.3602 114.6832 63.1478 71.8013 173.0677 198 H 5.0374 8.5225 125.8091 53.6039 32.8806 174.3828 199 K 4.1036 8.2832 121.8936 58.2034 31.9961 177.5473 200 T 4.3217 7.5626 108.7333 63.0766 69.7399 174.5052 201 S 4.5391 7.5215 116.9421 58.9259 66.4611 173.1191 202 T 4.4771 8.3600 113.1432 65.4531 72.9781 173.8954 203 S 4.2054 8.0024 115.4987 57.2165 62.3220 171.7894 204 P 4.2917 0.0000 0.0000 62.9088 31.8975 176.1076 205 I 3.8555 8.5220 125.4688 61.0109 39.0460 174.3773 206 V 4.7853 8.4124 129.7856 60.8903 33.6969 175.2509 207 K 4.1330 9.3462 128.5905 56.5112 32.2043 175.3031 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 4.42 0.00 3.90 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 2 V 8.10 4.19 2.11 0.00 0.00 0.00 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 1.07 0.00 0.00 3 E 9.55 4.88 0.00 2.01 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 2.25 2.32 0.00 4 M 8.47 5.08 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 5 T 9.28 4.84 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 1.23 0.00 0.00 6 Q 8.72 5.15 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 7 S 8.79 4.81 0.00 3.68 3.70 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 8 P 0.00 5.01 0.00 2.13 1.97 0.00 3.70 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.79 0.00 9 S 8.84 4.92 0.00 3.80 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 10 S 7.74 5.63 0.00 3.98 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 11 F 8.47 5.09 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 12 S 9.05 5.18 0.00 3.90 3.99 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 13 V 9.26 4.41 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 0.09 0.00 0.00 0.87 0.00 0.00 14 S 8.71 5.01 0.00 3.96 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 15 L 8.32 4.14 0.00 1.46 1.75 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 G 9.06 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 0.00 0.00 0.00 17 D 7.56 4.59 0.00 2.56 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.24 4.95 0.00 1.73 1.73 0.00 3.11 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 19 V 8.53 4.45 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 0.93 0.00 0.00 0.75 0.00 0.00 20 T 8.68 5.09 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 1.20 0.00 0.00 21 I 8.70 4.62 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 1.12 0.00 0.00 22 T 8.52 5.10 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 1.26 0.00 0.00 23 C 9.34 5.43 0.00 3.15 3.26 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 24 K 9.32 5.34 0.00 1.82 1.63 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.52 7.81 25 A 9.02 5.24 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 26 S 8.88 4.19 0.00 3.90 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.70 4.59 0.00 1.97 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 2.28 2.35 0.00 28 D 8.63 4.25 0.00 2.39 2.28 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 0.00 29 I 7.97 3.69 1.71 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.37 0.96 0.00 0.00 30 Y 7.81 3.33 0.00 1.85 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 31 N 8.17 4.29 0.00 3.02 2.92 0.00 0.00 7.05 7.82 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 32 R 7.43 4.22 0.00 1.47 1.10 0.00 3.45 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 33 L 7.15 4.82 0.00 0.71 0.97 0.30 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.00 5.37 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 35 W 9.23 5.48 0.00 3.29 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 36 Y 9.94 5.35 0.00 3.15 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 37 Q 9.35 4.76 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.01 1.51 0.00 38 Q 8.74 4.70 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 39 K 8.71 4.63 0.00 1.68 1.72 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.45 7.81 40 P 0.00 4.03 0.00 2.05 2.06 0.00 3.85 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 2.07 2.16 0.00 41 G 8.80 3.99 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 0.00 0.00 0.00 42 N 7.70 4.90 0.00 2.94 2.67 0.00 0.00 7.16 7.35 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 43 A 8.27 4.18 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 44 P 0.00 4.65 0.00 1.94 2.04 0.00 3.56 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.10 0.00 45 R 9.19 4.68 0.00 1.83 1.77 0.00 3.08 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 46 L 8.70 4.12 0.00 1.77 1.53 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.44 4.50 0.00 1.76 1.55 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.68 5.31 2.27 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 1.46 0.95 1.22 0.00 0.00 49 S 9.16 5.08 0.00 3.86 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 50 G 9.88 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 51 A 8.69 4.17 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.61 4.31 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 1.34 0.00 0.00 53 S 8.63 4.63 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 54 L 8.51 4.63 0.00 1.56 1.61 1.03 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.06 4.34 0.00 1.84 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 2.38 2.47 0.00 56 T 8.22 3.88 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 1.21 0.00 0.00 57 E 8.88 4.17 0.00 2.15 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 2.18 2.21 0.00 58 V 7.06 3.71 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 0.51 0.00 0.00 0.87 0.00 0.00 59 P 0.00 4.47 0.00 2.62 2.11 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.20 0.00 60 S 8.76 4.31 0.00 4.00 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 61 R 8.09 4.06 0.00 1.69 2.11 0.00 2.70 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.05 0.00 62 F 7.90 5.35 0.00 3.05 2.93 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 63 S 8.86 4.68 0.00 3.86 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 64 G 8.30 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.98 4.62 0.00 3.89 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 66 G 8.73 3.29 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 0.00 0.00 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 0.88 0.40 0.27 0.00 0.00 76 T 8.96 3.76 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 1.13 0.00 0.00 77 S 7.58 4.52 0.00 3.61 3.71 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 78 L 8.75 4.01 0.00 1.63 1.46 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.01 4.84 0.00 2.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.50 0.00 0.00 0.00 0.00 0.00 2.47 2.26 0.00 80 T 8.82 3.89 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 1.20 0.00 0.00 81 E 8.28 4.18 0.00 2.04 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 2.37 2.45 0.00 82 D 8.16 4.89 0.00 2.79 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 83 V 8.10 4.01 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 0.80 0.00 0.00 1.03 0.00 0.00 84 A 8.49 4.56 1.03 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 85 T 8.12 4.97 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 0.75 0.00 0.00 86 Y 9.05 5.19 0.00 3.04 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 87 Y 9.75 5.63 0.00 3.11 3.08 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 88 C 9.48 4.88 0.00 1.79 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 89 Q 8.46 4.92 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.18 1.61 0.00 90 Q 8.78 4.60 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.62 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 91 Y 7.72 4.82 0.00 2.68 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 92 W 8.58 4.32 0.00 3.22 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 93 S 8.72 4.07 0.00 3.49 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 2.48 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 1.08 0.00 0.00 *96 W 8.39 5.11 0.00 3.36 2.95 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 97 T 8.56 4.79 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 1.32 0.00 0.00 98 F 9.04 5.17 0.00 2.92 2.95 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 99 G 9.07 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 0.00 100 G 8.79 3.70 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 0.00 0.00 0.00 101 G 8.21 3.60 0.00 0.00 0.00 0.00 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8.73 4.93 0.00 3.18 3.10 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 0.00 141 P 0.00 3.18 0.00 1.89 1.81 0.00 3.91 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 142 K 8.13 3.70 0.00 0.79 0.74 0.00 1.18 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.12 1.17 7.81 143 D 7.84 4.42 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.51 4.14 1.65 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.33 1.17 0.00 0.00 145 N 8.06 5.13 0.00 2.87 2.66 0.00 0.00 6.51 7.56 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 0.00 146 V 8.54 4.50 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 0.86 0.00 0.00 0.93 0.00 0.00 147 K 8.77 4.27 0.00 1.66 1.67 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.53 7.81 *158 G 8.79 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 0.00 0.00 0.00 159 V 7.27 4.51 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 0.69 0.00 0.00 0.88 0.00 0.00 160 L 8.16 4.92 0.00 1.49 1.50 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 161 N 8.94 5.98 0.00 1.44 2.17 0.00 0.00 7.05 7.57 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 0.00 162 S 7.89 4.86 0.00 3.89 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 0.00 163 W 9.12 5.39 0.00 3.29 3.07 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 0.00 164 T 8.82 4.61 4.30 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 1.27 0.00 0.00 165 D 8.51 4.79 0.00 2.72 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 0.00 166 Q 8.65 3.38 0.00 1.68 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 167 D 8.94 4.40 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 S 8.53 4.19 0.00 3.99 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 0.00 169 K 8.31 3.99 0.00 1.90 1.87 0.00 1.51 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 170 D 7.86 4.61 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 0.00 171 S 8.78 4.61 0.00 3.66 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 0.00 172 T 7.15 4.74 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 1.27 0.00 0.00 173 Y 8.38 4.92 0.00 1.62 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 0.00 174 S 8.62 5.39 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 0.00 175 M 9.41 5.13 0.00 2.38 1.86 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 176 S 8.77 4.96 0.00 3.73 3.69 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 0.00 177 S 8.63 5.74 0.00 3.72 3.20 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 *193 T 9.14 4.34 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 1.23 0.00 0.00 194 C 8.77 5.04 0.00 2.96 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 0.00 195 E 9.14 5.95 0.00 2.05 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 2.16 2.07 0.00 196 A 8.32 5.12 1.14 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 0.00 197 T 8.36 4.42 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 1.20 0.00 0.00 198 H 8.52 5.04 0.00 3.02 3.06 0.00 5.87 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 K 8.28 4.10 0.00 1.85 1.83 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.19 1.31 7.81 200 T 7.56 4.32 4.32 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 1.40 0.00 0.00 201 S 7.52 4.54 0.00 3.89 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 0.00 202 T 8.36 4.48 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 0.00 203 S 8.00 4.21 0.00 3.98 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 0.00 204 P 0.00 4.29 0.00 1.95 2.31 0.00 3.67 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 2.03 2.15 0.00 205 I 8.52 3.86 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 1.23 1.22 0.89 0.00 0.00 206 V 8.41 4.79 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 0.82 0.00 0.00 0.96 0.00 0.00 207 K 9.35 4.13 0.00 1.77 1.55 0.00 1.58 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.