NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2340 8.0333 115.2354 61.3558 68.8846 174.6543 3 K 3.4753 8.3789 123.6409 58.7929 31.9122 177.7951 4 Q 4.0009 8.9496 120.5211 59.4285 29.2513 177.8333 5 E 4.1452 8.0280 118.9983 58.3608 29.4088 179.2910 6 K 4.0370 8.6242 119.4901 59.3015 32.3340 178.9312 7 I 3.9510 8.1065 116.6940 63.9879 38.1244 177.3635 8 E 4.1848 8.2247 119.5225 59.3562 29.5686 179.0253 9 K 4.1435 8.1538 119.3339 59.4236 32.2311 178.7207 10 T 4.3260 8.6625 114.2735 65.1430 67.1522 176.2802 11 I 3.8658 7.7983 121.2339 64.0880 36.9977 178.1108 12 T 3.9742 7.6963 116.1300 65.5823 68.7943 176.5660 13 F 3.8537 8.0995 122.7752 61.1162 39.3729 177.4169 14 V 3.2971 7.8481 117.6652 65.7750 31.2390 178.0238 15 K 3.7547 7.3483 116.9870 59.7090 31.3172 178.6408 16 H 4.1905 8.0148 116.3803 58.5249 28.6927 177.3398 17 I 4.0511 7.1648 119.7964 64.1222 36.7285 177.1581 18 L 4.0297 7.7099 117.8510 56.0441 41.5220 178.0770 19 E 4.4213 9.2904 120.0888 57.8613 29.8600 177.5949 20 K 4.2122 7.1501 113.9483 57.1434 32.7496 175.7172 21 D 4.2809 8.0671 123.7872 55.1550 47.3800 178.2230 22 A 3.1364 8.9983 113.7862 50.6270 19.6910 179.1994 23 S 4.5276 5.8100 109.8614 57.0225 66.5950 175.9762 24 G 4.0310 8.9691 114.5769 46.5048 0.0000 173.5812 25 H 4.9469 8.6188 121.9279 57.0117 30.8003 176.0912 26 D 4.7484 8.1161 117.6292 55.0927 40.5620 177.7828 27 W 4.1317 8.0385 129.3304 60.8258 30.7479 177.3394 28 Y 3.5938 8.5373 116.0342 60.9280 37.2571 178.3536 29 H 4.1610 7.9953 118.7989 59.0055 30.1073 176.8123 30 I 3.3720 6.9710 121.5346 64.3363 36.9079 178.1942 31 R 3.2923 6.7802 119.3383 59.3239 29.5823 178.1634 32 R 3.7200 7.0336 116.7971 59.6928 29.9332 178.2286 33 V 3.7613 7.2219 116.4410 66.1295 31.9139 177.0952 34 H 4.2899 8.1407 118.1469 59.2019 29.6674 178.9401 35 K 3.7392 8.4432 119.6083 56.6073 32.1784 178.7372 *37 A 4.2333 8.0812 124.1081 52.2491 19.9545 178.8998 38 I 3.8109 7.1803 117.5552 63.0581 36.6548 178.2334 39 S 4.2948 7.9622 121.3689 61.4540 63.3025 176.8839 40 L 4.1143 7.4948 123.4596 57.9267 41.8185 179.0345 41 S 4.3428 8.1840 114.6966 61.2876 62.6632 177.5049 42 E 4.4249 7.9711 120.0075 55.4509 29.2693 177.7376 43 Q 4.6814 8.7361 117.8764 57.6991 33.4697 174.1162 44 E 4.6344 7.9548 112.3659 55.8456 32.6379 176.4576 45 G 3.8451 7.9494 104.2413 44.4885 0.0000 172.2816 46 G 3.9250 8.5585 114.4730 44.8522 0.0000 173.3710 47 N 4.4607 10.8924 118.4090 53.9168 39.0826 175.5856 48 R 3.7774 8.9681 125.6543 59.5552 29.9277 178.2117 49 F 4.2189 8.1041 121.9682 61.7988 39.9286 177.8093 50 I 3.6144 7.5097 116.5616 64.3856 37.1866 177.8510 51 I 3.8721 7.8983 120.7921 64.6756 36.9826 179.3013 52 E 4.1156 8.4866 115.6681 57.0379 29.0118 178.8701 *54 A 4.1463 7.9712 122.1968 52.1927 20.4562 179.6099 55 A 3.9124 8.1436 117.6872 55.3162 18.4280 178.9378 56 L 4.2648 7.8963 113.8420 56.4616 42.0044 177.5115 57 L 4.8573 8.3152 117.4856 54.0959 43.3291 177.9405 58 H 4.2711 8.4566 115.2571 58.4472 28.9613 176.4012 59 D 4.3632 7.8024 119.4064 56.3360 41.0530 178.2349 60 V 3.7234 7.4546 117.1319 64.3903 31.7056 176.2733 61 A 4.5713 7.7822 120.6132 53.3543 21.4289 177.1493 62 D 4.3314 7.1869 105.0800 56.2502 40.4479 177.6749 *65 L 4.2770 8.8785 113.0476 55.1342 41.8237 177.3418 66 N 4.5103 8.3357 118.2966 55.7966 38.8741 174.1978 67 E 4.4733 8.2482 123.1120 55.3080 36.1644 176.6640 68 S 4.2644 8.9570 123.7416 58.5866 65.3085 175.0454 69 E 3.6553 8.6810 125.8930 56.9264 27.6628 173.5947 70 E 4.9138 8.7223 113.1696 57.9670 27.9641 177.7686 71 A 4.3347 7.6763 121.7836 53.2714 20.0493 178.8172 72 G 3.8919 7.3524 106.6456 45.3814 0.0000 175.2385 *74 K 4.1963 7.8210 119.7974 55.6633 34.4047 177.1299 75 K 4.0901 7.4290 116.6443 59.5529 32.3484 178.3397 76 V 3.9936 8.1921 118.6634 65.7565 31.1637 177.2694 77 S 4.1084 8.2937 112.4461 61.9542 61.9438 175.5077 78 D 4.5456 8.4661 121.1283 55.0158 39.1304 178.1429 79 W 4.1809 7.6752 129.5423 60.3984 30.6960 177.8941 80 L 3.7744 7.9686 118.5976 57.4263 40.8829 179.6742 81 E 3.7692 7.8297 118.3435 59.3867 29.4215 178.4725 82 E 3.6843 7.1429 116.3491 58.8504 29.6389 177.9312 83 L 4.1431 6.9102 115.9676 53.1154 42.0448 174.8817 84 H 3.7844 8.1576 118.1673 56.0796 26.6350 174.9241 85 V 4.2229 7.8658 123.7125 61.1458 33.1880 174.3814 86 E 3.7808 8.7555 126.1357 56.4267 29.8094 178.2267 87 E 3.3596 9.1386 124.1017 59.5747 29.1785 178.5431 88 E 3.9035 8.2810 117.9187 58.4876 29.7897 177.4159 89 E 4.5143 8.9511 118.6630 57.9735 30.9521 177.8989 90 S 4.0918 8.0701 112.6115 61.5547 62.1652 175.9709 91 K 3.9040 8.0245 120.9036 59.4956 31.7004 177.3740 92 H 4.6512 8.5104 118.4613 58.5992 30.0885 176.6921 93 V 3.6788 7.6620 120.3243 65.5141 31.2777 177.0255 94 L 4.1898 8.0147 117.5115 57.8465 40.4435 178.0564 95 H 4.4815 8.3223 120.7708 58.4946 29.9582 176.6567 96 I 3.4462 7.9046 114.3067 64.0584 37.2022 177.5721 97 I 3.8376 7.7674 118.0233 62.6195 37.7965 176.6630 98 A 4.3195 8.2524 121.1504 53.1783 19.4432 177.5529 99 N 4.0687 8.0490 113.7792 54.6411 36.8648 178.2906 *112 S 4.1692 9.1339 125.4414 58.5635 64.0645 171.2836 113 I 3.6597 8.2735 129.6181 64.2429 37.8252 177.0832 114 E 4.0435 8.3637 118.9938 59.5355 29.2719 179.3374 115 G 3.5615 7.9578 105.0707 47.9105 0.0000 175.1826 116 K 3.8399 8.6128 123.2434 59.2786 31.9998 178.5257 117 L 3.9515 8.1697 118.9535 57.7555 41.6341 179.3338 118 V 3.5070 7.6461 118.2308 66.3414 31.4141 177.9144 119 Q 3.9885 8.3223 119.0547 59.1034 28.4005 177.7169 120 D 4.4299 7.9779 119.1305 56.4389 40.7261 177.8473 121 A 4.1968 7.9730 119.9502 53.3265 18.9772 178.0975 122 D 4.5114 7.6057 116.1001 56.4133 41.7068 178.3908 123 R 3.9168 7.7198 117.9925 59.3323 30.2510 178.1087 124 L 4.1068 7.6769 118.3086 57.1995 41.9680 177.2882 125 D 4.9327 7.6527 118.4560 53.6482 40.7399 176.1963 126 A 4.5851 7.6526 119.4134 51.9562 22.9119 176.6752 127 L 4.4842 7.6626 114.8542 53.9652 43.5803 176.6284 128 G 3.9248 8.6969 106.0687 45.0826 0.0000 174.4381 129 A 4.0094 8.4770 119.1634 55.4096 18.0514 179.4705 130 I 3.7372 8.0254 117.5782 64.7626 37.1863 178.3605 131 G 3.7757 8.1841 107.5571 47.3035 0.0000 175.2596 132 I 3.7760 7.7922 122.1589 64.0369 37.0324 177.8112 133 A 4.1228 8.4331 121.2511 55.4936 18.2849 179.3163 134 R 3.8032 9.4197 117.0182 60.8928 29.9415 177.9063 135 T 3.7465 8.4742 115.8410 65.8488 68.2263 176.2221 136 F 4.2779 7.9817 119.3439 60.9320 39.2165 177.8926 137 A 4.0323 8.4450 120.4634 55.5380 18.2686 179.0335 138 Y 4.2814 8.5647 118.2883 60.6357 38.6245 178.7855 139 G 3.7425 8.1673 108.6012 47.0199 0.0000 175.7820 140 G 3.7345 8.5237 108.7274 47.4171 0.0000 175.4079 141 A 3.9756 7.6370 122.1249 54.7825 18.6473 179.6796 142 K 3.9885 7.8857 114.6934 56.3834 33.3182 176.3639 143 G 3.6999 7.8982 108.5511 45.4698 0.0000 172.6075 144 R 4.6936 7.9561 119.3835 54.3347 35.2981 177.3206 145 L 4.6051 8.3842 127.3949 55.1361 43.7847 176.6873 *147 Y 4.8535 8.4056 128.0643 59.0319 40.1418 174.3896 148 D 4.0011 7.2947 121.7444 52.6641 43.2653 174.1977 149 P 4.2766 0.0000 0.0000 64.6352 31.4836 177.1317 150 T 4.2307 8.2245 115.6501 64.6782 68.8494 175.1175 151 I 4.4176 7.1470 122.2558 58.1000 37.2994 173.3130 152 P 4.5866 0.0000 0.0000 61.0614 32.2617 175.1371 153 P 4.5435 0.0000 0.0000 63.1027 31.4134 174.6194 154 R 4.2638 8.1499 116.6562 57.6111 31.9572 175.8059 *167 D 4.4257 7.6411 120.5840 52.7437 39.5158 173.2023 168 P 4.6562 0.0000 0.0000 62.6188 33.0902 178.3936 169 S 3.9976 8.5882 115.7489 61.6069 62.5946 176.9116 170 L 4.1047 7.9505 122.5996 58.0868 41.7488 178.6154 171 N 4.4429 7.8837 115.3647 56.4963 38.5038 176.4757 172 H 3.7933 7.6382 118.2476 59.6156 29.6035 176.6519 173 F 4.0915 7.3358 118.9243 60.8589 38.4756 177.0692 174 Y 4.2918 7.4067 115.3984 61.6145 37.8926 177.4296 175 E 3.8934 8.2858 118.5008 58.9661 30.2305 178.0689 176 K 4.7342 8.3231 119.1267 55.4888 34.0021 176.7693 177 L 4.6597 7.9248 118.4827 56.5700 45.2824 179.6114 178 L 4.2389 8.1175 116.7439 57.0276 41.6102 177.8790 179 K 4.5237 7.9823 116.6754 56.8341 33.1534 177.2593 180 L 4.3973 7.8167 121.9373 56.4463 42.3497 178.4672 181 K 4.2545 7.9904 115.6131 58.1167 32.7297 176.9732 182 D 4.6272 7.8669 118.3169 54.5681 41.5242 176.7903 183 L 4.3180 7.2133 119.8127 52.9749 40.0066 175.8948 *185 N 4.6059 7.6036 118.7012 53.1599 41.3040 176.8935 186 T 4.1838 9.0024 108.6171 61.5158 71.3606 175.5332 187 N 4.2387 8.6374 117.6412 56.4432 38.6829 177.1973 188 A 3.9086 8.2089 121.8356 55.4624 18.2996 179.6054 189 A 3.9131 7.7593 118.8838 55.2879 18.5363 179.9426 190 K 3.8736 7.8567 116.9253 60.0156 32.2362 178.7605 191 Q 3.9206 8.8908 120.2078 58.9253 28.8993 177.6562 192 E 3.8712 8.5682 119.5640 59.6267 29.6787 179.0677 193 A 4.0347 8.3034 120.6734 55.4902 18.2815 179.4877 194 E 3.8562 8.3261 116.8182 59.4907 29.3889 179.8303 195 V 3.6054 7.6616 117.9498 65.9894 31.4054 178.3288 196 R 3.9428 8.3087 116.9063 59.5374 30.0331 178.1056 197 H 4.2479 8.6937 117.4026 59.3005 30.0699 176.6385 198 R 4.3708 8.2379 121.9851 58.8687 29.8178 179.0005 199 Y 4.3809 7.6817 117.7467 57.8759 38.4066 177.8156 *201 E 4.1418 8.1548 117.5376 56.0322 31.7520 178.2858 202 Q 3.9675 8.1338 117.6332 58.9202 28.5483 178.7352 203 F 3.7812 8.2470 121.9881 61.3469 39.2722 177.1848 204 I 3.2896 7.6891 117.6349 63.4955 36.9336 177.1970 205 E 4.1517 7.4717 119.7820 58.5808 29.7320 177.5116 206 Q 4.1281 7.9569 119.5041 58.2529 29.0749 177.5105 207 F 3.9374 8.3487 119.7790 58.7822 38.9852 176.4573 *209 K 4.7889 7.8718 117.7999 56.7092 34.5549 177.8105 210 E 3.8953 7.8679 119.0299 58.6945 29.5042 178.8961 211 W 4.2760 7.9711 127.7799 59.7323 30.7486 176.0829 212 N 4.7878 8.0943 113.4582 52.3347 38.7228 174.7413 213 A 3.6138 7.8347 118.0903 53.3409 16.2972 177.7440 214 Q 4.1648 8.5970 122.9685 55.5112 29.0873 175.3287 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 2 T 8.03 4.23 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 1.31 0.00 0.00 3 K 8.38 3.48 0.00 1.66 1.50 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.69 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.87 7.81 4 Q 8.95 4.00 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 5 E 8.03 4.15 0.00 2.19 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 2.34 2.35 0.00 6 K 8.62 4.04 0.00 2.15 2.00 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.70 7.81 7 I 8.11 3.95 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.22 1.10 0.00 0.00 8 E 8.22 4.18 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 9 K 8.15 4.14 0.00 2.14 1.98 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.68 7.81 10 T 8.66 4.33 4.67 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 1.37 0.00 0.00 11 I 7.80 3.87 2.11 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 0.66 0.00 0.00 12 T 7.70 3.97 4.49 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 1.16 0.00 0.00 13 F 8.10 3.85 0.00 2.34 2.79 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 0.00 0.00 0.00 0.00 14 V 7.85 3.30 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 1.05 0.00 0.00 1.04 0.00 0.00 15 K 7.35 3.75 0.00 1.70 1.61 0.00 1.27 0.00 0.00 0.64 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.71 0.84 7.81 16 H 8.01 4.19 0.00 3.29 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.16 4.05 1.31 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 0.66 0.00 0.00 18 L 7.71 4.03 0.00 1.81 1.69 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 E 9.29 4.42 0.00 1.92 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 2.18 2.27 0.00 20 K 7.15 4.21 0.00 1.74 1.79 0.00 1.60 0.00 0.00 1.54 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 21 D 8.07 4.28 0.00 2.55 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 0.00 0.00 0.00 22 A 9.00 3.14 1.17 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 23 S 5.81 4.53 0.00 4.02 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 24 G 8.97 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 25 H 8.62 4.95 0.00 3.22 3.35 0.00 5.78 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 26 D 8.12 4.75 0.00 2.79 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 27 W 8.04 4.13 0.00 3.46 3.25 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 28 Y 8.54 3.59 0.00 2.96 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 29 H 8.00 4.16 0.00 3.17 3.43 0.00 5.88 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 30 I 6.97 3.37 1.48 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.87 0.00 0.00 31 R 6.78 3.29 0.00 0.67 1.07 0.00 3.22 0.00 0.00 3.47 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 32 R 7.03 3.72 0.00 1.94 1.90 0.00 3.55 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 33 V 7.22 3.76 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 0.78 0.00 0.00 0.92 0.00 0.00 34 H 8.14 4.29 0.00 3.18 3.34 0.00 5.85 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 35 K 8.44 3.74 0.00 1.70 1.75 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.52 7.81 *37 A 8.08 4.23 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.18 3.81 2.01 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 1.60 0.77 0.92 0.00 0.00 39 S 7.96 4.29 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 40 L 7.49 4.11 0.00 1.84 1.64 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.18 4.34 0.00 4.27 4.26 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 42 E 7.97 4.42 0.00 2.22 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 2.47 2.36 0.00 43 Q 8.74 4.68 0.00 1.91 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.81 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 44 E 7.95 4.63 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 45 G 7.95 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 46 G 8.56 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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8.44 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.56 4.28 0.00 2.97 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 0.00 139 G 8.17 3.74 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 0.00 0.00 0.00 140 G 8.52 3.73 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 0.00 0.00 0.00 141 A 7.64 3.98 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 0.00 142 K 7.89 3.99 0.00 1.17 1.54 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.06 1.35 7.81 143 G 7.90 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 0.00 144 R 7.96 4.69 0.00 1.57 1.77 0.00 3.07 0.00 0.00 3.48 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 145 L 8.38 4.61 0.00 1.70 1.43 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *147 Y 8.41 4.85 0.00 2.79 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 0.00 0.00 0.00 0.00 148 D 7.29 4.00 0.00 2.60 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 0.00 0.00 0.00 0.00 149 P 0.00 4.28 0.00 2.23 2.11 0.00 3.66 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 150 T 8.22 4.23 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 1.21 0.00 0.00 151 I 7.15 4.42 1.86 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 1.33 0.87 0.97 0.00 0.00 152 P 0.00 4.59 0.00 2.19 2.09 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 2.00 1.96 0.00 153 P 0.00 4.54 0.00 2.21 2.35 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.74 0.00 154 R 8.15 4.26 0.00 1.78 2.11 0.00 3.45 0.00 0.00 3.28 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 *167 D 7.64 4.43 0.00 2.84 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 0.00 168 P 0.00 4.66 0.00 2.33 2.25 0.00 3.77 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 2.17 2.04 0.00 169 S 8.59 4.00 0.00 4.03 3.59 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 0.00 170 L 7.95 4.10 0.00 1.71 1.66 0.22 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 171 N 7.88 4.44 0.00 3.04 3.09 0.00 0.00 6.54 8.04 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 0.00 172 H 7.64 3.79 0.00 3.02 2.93 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 F 7.34 4.09 0.00 2.81 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 0.00 174 Y 7.41 4.29 0.00 3.02 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 0.00 175 E 8.29 3.89 0.00 2.04 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 2.28 2.40 0.00 176 K 8.32 4.73 0.00 1.58 1.64 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.32 7.81 177 L 7.92 4.66 0.00 1.93 1.70 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 178 L 8.12 4.24 0.00 1.78 1.95 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 179 K 7.98 4.52 0.00 1.87 1.92 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.37 1.45 7.81 180 L 7.82 4.40 0.00 1.92 1.74 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 181 K 7.99 4.25 0.00 1.79 1.90 0.00 1.26 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.87 1.47 7.81 182 D 7.87 4.63 0.00 2.67 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 0.00 183 L 7.21 4.32 0.00 1.77 1.61 0.91 0.86 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 *185 N 7.60 4.61 0.00 2.99 2.77 0.00 0.00 7.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 T 9.00 4.18 4.40 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 1.27 0.00 0.00 187 N 8.64 4.24 0.00 3.07 2.90 0.00 0.00 6.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.21 3.91 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 0.00 189 A 7.76 3.91 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 190 K 7.86 3.87 0.00 2.03 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.67 7.81 191 Q 8.89 3.92 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 192 E 8.57 3.87 0.00 2.11 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 2.31 2.40 0.00 193 A 8.30 4.03 1.43 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 0.00 194 E 8.33 3.86 0.00 2.29 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 2.33 2.47 0.00 195 V 7.66 3.61 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 1.04 0.00 0.00 1.02 0.00 0.00 196 R 8.31 3.94 0.00 1.96 2.01 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 197 H 8.69 4.25 0.00 3.20 3.52 0.00 5.77 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 R 8.24 4.37 0.00 2.18 2.15 0.00 3.30 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.55 0.00 199 Y 7.68 4.38 0.00 2.97 3.06 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 0.00 0.00 0.00 *201 E 8.15 4.14 0.00 2.26 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 2.18 2.36 0.00 202 Q 8.13 3.97 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 203 F 8.25 3.78 0.00 2.48 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 0.00 204 I 7.69 3.29 1.73 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.30 0.77 0.00 0.00 205 E 7.47 4.15 0.00 2.06 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 2.28 2.30 0.00 206 Q 7.96 4.13 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 207 F 8.35 3.94 0.00 2.42 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 *209 K 7.87 4.79 0.00 2.03 2.09 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.44 7.81 210 E 7.87 3.90 0.00 2.02 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 2.23 2.15 0.00 211 W 7.97 4.28 0.00 3.28 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 0.00 212 N 8.09 4.79 0.00 2.78 2.84 0.00 0.00 7.08 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 0.00 213 A 7.83 3.61 1.19 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 0.00 214 Q 8.60 4.16 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.