NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1050 8.0544 120.3947 62.8967 34.0855 175.3286 3 D 4.4814 7.6711 125.4847 54.0046 40.6474 175.1936 *6 D 4.6005 9.3921 120.5230 53.4901 43.5019 174.0981 7 L 4.9269 7.4755 117.9057 51.7307 45.3521 174.3996 8 P 4.4450 0.0000 0.0000 62.7940 31.8298 176.2024 9 R 4.8984 8.3798 120.7038 54.4626 32.8435 175.5491 10 S 4.5264 8.7314 120.5047 58.1877 64.3229 173.7318 11 R 5.2383 8.9292 124.2385 55.5160 30.4817 175.7042 12 I 4.6630 8.2313 116.6929 59.1394 41.4554 173.0928 13 N 4.5908 8.2069 118.5273 50.2168 39.9827 174.1364 14 A 4.4532 9.2326 121.2443 55.4218 18.4409 180.4264 15 G 3.8624 7.3830 106.0294 45.3255 0.0000 174.9545 *17 L 4.4433 8.1748 120.4936 54.4578 43.6251 179.6796 18 A 4.0425 8.0957 119.1975 54.8153 18.4197 177.9902 19 Q 4.3667 8.1468 112.3002 56.6834 29.5219 176.0751 20 F 4.6871 8.3343 117.2798 56.7276 39.9333 174.7602 21 I 3.8203 7.9805 121.0445 63.4735 37.0640 175.5595 22 D 4.6446 8.8818 123.0975 54.4956 40.5707 173.2089 23 K 4.7894 7.8729 116.7427 54.1531 35.3579 173.8805 24 P 5.0403 0.0000 0.0000 62.8602 32.6476 175.9340 25 V 5.0836 9.1082 116.5520 59.9423 37.2059 173.7222 26 C 5.1612 9.2925 122.4101 57.7708 34.2351 172.3437 27 F 4.8541 9.5968 129.7023 56.5211 41.2639 173.8257 28 V 4.5433 8.0487 126.5463 61.5378 33.0279 174.8030 29 G 4.1978 8.5417 113.1622 45.7615 0.0000 171.5854 30 R 4.9128 8.9725 121.1153 54.7390 31.6017 175.2427 31 L 4.3222 8.9148 129.4720 55.9529 41.8419 175.9196 32 E 4.5604 9.1746 126.5146 57.7145 31.5471 176.6458 33 K 4.5113 7.7245 117.5866 55.4019 35.7579 174.1701 34 I 4.8315 8.2084 127.2656 59.4400 39.2772 175.2105 35 H 4.2836 8.8697 126.3247 55.4076 30.4665 174.2679 36 P 3.7851 0.0000 0.0000 65.7444 31.2605 177.7797 37 T 3.9796 7.9913 106.5061 62.2015 69.3118 175.3298 38 G 3.9895 9.0751 111.6223 46.3347 0.0000 174.3922 39 K 4.6267 7.7777 118.2184 55.8741 32.8232 175.9546 *41 F 4.9830 7.7937 112.6862 56.9781 40.0304 173.1579 42 I 4.8613 8.7133 120.3161 59.6561 39.4381 174.8296 43 L 5.4429 8.6615 126.8475 52.9772 44.8469 175.3827 44 S 5.3898 9.0284 118.2003 56.8157 65.6152 174.4090 45 D 4.7447 9.3310 124.0812 52.2984 40.9438 176.8390 46 G 3.8540 8.6271 106.9506 47.3483 0.0000 173.8833 47 E 4.5291 8.2482 117.3467 55.8984 29.8717 176.3189 48 G 3.9276 8.2837 105.3733 46.9844 0.0000 173.9186 49 K 4.7126 8.5808 118.9994 54.4134 34.7048 175.2394 50 N 5.3677 8.8320 121.1357 52.2629 40.2793 174.6715 51 G 3.8779 9.1642 109.9383 44.5860 0.0000 171.7614 52 T 4.7052 8.1528 119.8633 61.9408 70.5178 173.5692 53 I 4.3877 8.1945 128.2771 59.5237 38.7222 174.9633 54 E 4.2603 8.9523 128.0384 55.0779 30.8718 175.4303 55 L 4.7434 8.4121 126.6821 54.0729 44.2973 175.7976 *57 E 4.1456 8.6614 122.1560 56.3371 30.7303 173.9445 58 P 4.6189 0.0000 0.0000 62.2657 32.0691 176.5294 59 L 4.2042 8.5674 121.9839 55.7849 42.2640 177.3441 60 D 4.5941 8.8251 121.5228 55.9975 41.5786 176.5059 61 E 4.7772 7.6753 115.1193 53.6124 32.9915 175.1791 62 E 4.0586 8.5944 121.0766 56.3252 30.2426 175.9668 63 I 4.7101 7.7432 117.2332 59.3035 40.3584 174.3491 64 S 4.4249 8.5351 114.8260 58.3045 66.8907 175.9888 65 G 3.7692 8.3964 107.3401 46.3606 0.0000 172.8039 66 I 4.5752 7.6614 123.6348 60.4171 38.8090 175.3562 67 V 4.5793 8.7357 126.9204 60.8592 35.0337 173.5503 68 E 4.7901 8.7797 128.6652 54.5197 31.5637 174.3807 69 V 4.9476 8.9214 127.7148 61.1847 34.2369 174.2525 70 V 4.8082 8.4911 127.8682 61.5000 34.1385 175.0771 71 G 3.9623 8.1132 112.3896 46.3440 0.0000 171.2606 72 R 5.2129 7.8963 119.7560 54.2338 32.9492 176.2033 73 V 4.2796 8.5803 126.5956 63.0660 32.8109 176.0869 74 T 4.6344 9.1688 118.3405 60.1455 70.1424 175.4917 75 A 3.9353 8.4627 124.1590 54.9221 18.2914 178.5256 76 K 4.2062 8.0438 112.7240 55.8072 32.2778 176.3333 77 A 3.7033 7.9573 121.1640 53.4919 16.6078 177.5206 78 T 4.5063 7.4582 109.0099 61.7671 72.5163 172.8425 79 I 4.6765 8.2267 122.3510 59.3903 39.6775 175.2166 80 L 4.6338 8.7245 130.4187 54.1878 42.6281 175.1378 81 C 4.7998 8.8410 128.9470 59.6844 31.4838 173.3018 82 T 4.5636 8.8922 116.8493 63.1982 69.9740 174.8593 83 S 4.8313 7.7891 114.4434 57.6006 65.9771 173.3706 84 Y 5.6036 7.9382 118.4117 55.7162 41.1871 174.4468 85 V 4.6161 8.6556 119.5258 60.0857 35.2372 174.4710 86 Q 4.5824 8.7840 122.5227 55.7790 29.4689 175.7633 87 F 4.7623 8.9297 123.9844 56.8158 39.7089 175.7802 88 K 4.2099 8.5802 123.0584 57.2265 33.0855 176.6519 89 E 5.0450 8.7790 119.6949 55.1551 31.4462 176.2730 90 D 4.5171 8.3246 121.3486 56.0557 40.0509 177.7007 91 S 4.3748 8.1473 114.8574 60.5281 63.1835 174.1783 92 H 4.9417 7.7559 115.6319 53.1998 32.4919 170.9631 93 P 4.6798 0.0000 0.0000 62.1966 31.8896 176.0032 94 F 4.2882 9.5985 126.1495 58.0095 40.0099 175.3726 95 D 4.4776 7.6751 127.3742 53.0080 40.8053 176.3184 96 L 4.2389 8.2534 129.4548 57.6338 42.3358 178.6280 97 G 3.5499 8.0874 105.6108 47.4954 0.0000 175.3288 98 L 3.8789 8.1375 122.8910 57.9545 42.1163 178.1837 99 Y 4.0381 7.8473 119.4909 60.9852 38.6908 177.7911 100 N 4.1377 8.5298 117.8663 56.6406 38.9628 176.6362 101 E 3.8798 8.0415 119.8249 59.3020 29.4842 179.1167 102 A 3.8827 7.8725 120.8277 54.9762 18.2252 179.8210 103 V 3.2610 7.4083 116.7486 65.9870 31.5715 178.4308 104 K 3.9572 7.8786 118.1841 59.5391 31.8857 179.4389 105 I 3.8721 7.7989 120.0483 64.3346 36.7904 178.2451 106 I 3.5734 7.5414 119.8527 64.9598 37.0608 177.7060 107 H 4.4860 7.7496 114.1792 57.8058 28.7954 177.0979 108 D 4.3155 7.9365 120.4150 55.6084 42.0596 176.5507 109 F 5.1701 8.3394 116.4890 53.9957 39.6321 174.0149 110 P 4.3777 0.0000 0.0000 65.8862 31.2330 179.1994 111 Q 3.9660 7.9985 116.0284 57.8692 28.5334 177.0994 112 F 5.2099 8.1968 115.8288 57.6437 40.1352 175.6707 113 Y 4.7399 7.6722 120.9672 55.6296 39.0667 172.0971 114 P 4.4382 0.0000 0.0000 61.8328 32.5344 176.7606 115 L 4.2742 8.2977 124.8352 57.1454 41.1459 176.6256 116 G 3.9746 8.8270 113.6186 45.6093 0.0000 172.0369 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 V 8.05 4.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 3 D 7.67 4.48 0.00 2.77 2.44 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 *6 D 9.39 4.60 0.00 2.93 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 7 L 7.48 4.93 0.00 1.61 1.57 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.44 0.00 2.10 2.03 0.00 3.65 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 2.06 2.13 0.00 9 R 8.38 4.90 0.00 1.72 1.76 0.00 3.25 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 10 S 8.73 4.53 0.00 3.77 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 11 R 8.93 5.24 0.00 1.70 1.92 0.00 3.31 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 12 I 8.23 4.66 1.59 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 1.31 0.67 0.06 0.00 0.00 13 N 8.21 4.59 0.00 2.93 2.76 0.00 0.00 5.95 7.26 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 14 A 9.23 4.45 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.38 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *17 L 8.17 4.44 0.00 1.89 1.81 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.10 4.04 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 19 Q 8.15 4.37 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 20 F 8.33 4.69 0.00 3.02 3.05 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 0.00 21 I 7.98 3.82 1.88 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 1.51 0.75 0.92 0.00 0.00 22 D 8.88 4.64 0.00 2.81 2.81 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 23 K 7.87 4.79 0.00 2.19 1.90 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.66 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.42 7.81 24 P 0.00 5.04 0.00 2.31 2.02 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 25 V 9.11 5.08 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 0.70 0.00 0.00 0.99 0.00 0.00 26 C 9.29 5.16 0.00 2.99 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 27 F 9.60 4.85 0.00 3.04 2.77 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 28 V 8.05 4.54 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 0.11 0.00 0.00 0.53 0.00 0.00 29 G 8.54 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 0.00 0.00 0.00 0.00 30 R 8.97 4.91 0.00 1.89 1.84 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 8.91 4.32 0.00 1.58 1.50 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.17 4.56 0.00 1.97 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 2.52 2.41 0.00 33 K 7.72 4.51 0.00 1.81 1.61 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.45 7.81 34 I 8.21 4.83 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.95 0.00 0.00 35 H 8.87 4.28 0.00 3.15 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 3.79 0.00 1.97 2.05 0.00 2.93 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 37 T 7.99 3.98 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 1.29 0.00 0.00 38 G 9.08 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 39 K 7.78 4.63 0.00 1.86 1.77 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.36 7.81 *41 F 7.79 4.98 0.00 3.22 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 42 I 8.71 4.86 1.90 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 1.24 0.92 0.92 0.00 0.00 43 L 8.66 5.44 0.00 1.68 1.78 1.12 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.03 5.39 0.00 3.92 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 9.33 4.74 0.00 2.74 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 46 G 8.63 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 47 E 8.25 4.53 0.00 2.06 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 2.23 2.32 0.00 48 G 8.28 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 49 K 8.58 4.71 0.00 2.01 1.76 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.56 7.81 50 N 8.83 5.37 0.00 2.62 2.74 0.00 0.00 6.71 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 51 G 9.16 3.88 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 0.00 0.00 0.00 52 T 8.15 4.71 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 1.07 0.00 0.00 53 I 8.19 4.39 0.56 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.44 0.37 0.00 0.00 54 E 8.95 4.26 0.00 1.87 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 2.15 2.14 0.00 55 L 8.41 4.74 0.00 1.54 1.64 1.18 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *57 E 8.66 4.15 0.00 2.04 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 2.24 2.31 0.00 58 P 0.00 4.62 0.00 2.07 2.02 0.00 3.73 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 2.05 2.13 0.00 59 L 8.57 4.20 0.00 1.62 1.82 0.83 0.89 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 60 D 8.83 4.59 0.00 2.70 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 61 E 7.68 4.78 0.00 1.93 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 2.20 2.26 0.00 62 E 8.59 4.06 0.00 1.90 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 2.23 2.26 0.00 63 I 7.74 4.71 1.61 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.39 0.82 0.00 0.00 64 S 8.54 4.42 0.00 3.94 3.79 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 65 G 8.40 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 0.00 0.00 0.00 66 I 7.66 4.58 1.77 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.36 0.00 0.00 67 V 8.74 4.58 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 0.92 0.00 0.00 0.77 0.00 0.00 68 E 8.78 4.79 0.00 1.42 1.70 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 2.25 2.20 0.00 69 V 8.92 4.95 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 0.79 0.00 0.00 1.09 0.00 0.00 70 V 8.49 4.81 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 1.02 0.00 0.00 1.00 0.00 0.00 71 G 8.11 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 0.00 0.00 0.00 72 R 7.90 5.21 0.00 1.92 1.77 0.00 3.11 0.00 0.00 3.41 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 73 V 8.58 4.28 2.36 0.00 0.00 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 1.05 0.00 0.00 74 T 9.17 4.63 4.22 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 0.00 0.00 1.18 0.00 0.00 75 A 8.46 3.94 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 76 K 8.04 4.21 0.00 1.73 1.82 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 77 A 7.96 3.70 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 78 T 7.46 4.51 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 1.14 0.00 0.00 79 I 8.23 4.68 1.67 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 1.06 0.47 0.86 0.00 0.00 80 L 8.72 4.63 0.00 1.73 1.55 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.84 4.80 0.00 2.93 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 82 T 8.89 4.56 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 1.23 0.00 0.00 83 S 7.79 4.83 0.00 3.82 3.94 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 0.00 0.00 0.00 84 Y 7.94 5.60 0.00 2.98 3.04 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 85 V 8.66 4.62 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 0.89 0.00 0.00 0.98 0.00 0.00 86 Q 8.78 4.58 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 87 F 8.93 4.76 0.00 2.67 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 88 K 8.58 4.21 0.00 1.86 1.81 0.00 1.49 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.40 7.81 89 E 8.78 5.05 0.00 1.96 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 2.35 2.33 0.00 90 D 8.32 4.52 0.00 2.79 2.81 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 91 S 8.15 4.37 0.00 4.01 3.94 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 0.00 0.00 0.00 92 H 7.76 4.94 0.00 3.21 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.68 0.00 2.08 2.03 0.00 3.73 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 94 F 9.60 4.29 0.00 2.97 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 95 D 7.68 4.48 0.00 2.59 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 96 L 8.25 4.24 0.00 1.95 1.71 1.10 1.10 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 97 G 8.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.88 0.00 1.83 1.74 0.88 0.74 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 99 Y 7.85 4.04 0.00 3.20 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.53 4.14 0.00 2.97 2.93 0.00 0.00 7.28 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.04 3.88 0.00 2.19 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 2.49 2.44 0.00 102 A 7.87 3.88 1.15 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 0.00 103 V 7.41 3.26 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 0.96 0.00 0.00 0.36 0.00 0.00 104 K 7.88 3.96 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.63 7.81 105 I 7.80 3.87 1.99 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 1.65 0.83 1.06 0.00 0.00 106 I 7.54 3.57 1.82 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.10 0.63 0.00 0.00 107 H 7.75 4.49 0.00 3.09 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.94 4.32 0.00 2.74 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 0.00 0.00 0.00 109 F 8.34 5.17 0.00 3.22 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 0.00 110 P 0.00 4.38 0.00 2.21 2.35 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 111 Q 8.00 3.97 0.00 1.90 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.48 0.00 112 F 8.20 5.21 0.00 3.12 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 0.00 113 Y 7.67 4.74 0.00 2.94 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 0.00 114 P 0.00 4.44 0.00 2.06 1.96 0.00 3.59 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 2.01 2.08 0.00 115 L 8.30 4.27 0.00 1.68 1.68 1.04 1.22 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 0.00 116 G 8.83 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 * Residues marked with a * may have inaccurate shift predictions.