NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0826 8.2493 123.5737 47.4760 20.9124 178.4014 5 D 4.3524 7.6299 113.4423 51.8000 38.6933 172.5039 6 Q 4.8685 8.5434 117.1112 55.9958 30.1376 179.2081 7 A 4.3045 7.9979 124.0256 54.4831 19.3183 180.4917 8 L 3.8933 7.2752 116.6315 58.0406 42.1177 177.3532 9 H 4.7444 7.7959 112.2847 55.3136 29.3051 174.6223 10 N 4.5451 7.4762 118.6422 53.6623 39.3039 174.5572 11 N 4.3032 8.8307 122.7290 55.4244 39.0390 174.1423 12 N 5.1389 8.3757 116.8841 52.6777 39.0063 175.0702 13 V 4.5002 10.0780 117.8810 58.9527 35.5434 177.0523 14 G 3.8205 7.5039 109.5281 44.2732 0.0000 169.8828 15 P 4.6417 0.0000 0.0000 62.3676 33.3534 175.1980 16 I 5.0356 8.7140 122.3029 59.7707 39.8788 174.7246 17 I 5.1976 8.6410 127.5094 59.0242 40.8615 175.1971 18 R 4.4127 8.0483 126.4288 56.0535 30.5664 176.2206 19 A 3.9690 8.9634 128.4536 52.4966 19.1622 178.8079 20 G 3.7234 8.3964 105.9812 45.0678 0.0000 173.1267 21 D 4.5061 8.3526 119.6572 56.1092 41.2759 176.8366 22 L 4.3312 7.7264 120.4759 56.3515 43.0523 177.9832 23 V 3.5572 7.5029 118.2840 66.0679 31.2362 177.1799 24 E 3.8934 8.1603 117.9939 59.2385 29.5083 177.2387 25 P 4.1896 0.0000 0.0000 65.3629 31.2434 178.8243 26 V 3.5965 7.6740 116.8366 65.6937 31.4703 178.0433 27 I 3.6784 7.9581 119.8361 64.6673 37.0332 178.3123 28 E 4.4894 8.2451 120.5971 59.2101 29.1646 179.6356 29 T 3.9275 7.8855 115.7487 66.1785 68.5027 176.7626 30 A 3.9837 8.3323 123.2277 55.1941 18.3553 179.3138 31 E 3.8769 8.1560 117.7553 59.5917 29.5128 179.1490 32 I 3.7856 7.6685 118.6936 63.9600 37.3220 177.3599 33 D 4.7228 8.1680 117.2505 54.2537 42.2791 176.3777 34 N 5.0834 7.9249 116.9944 50.4821 38.7686 172.1693 35 P 4.2838 0.0000 0.0000 64.1446 32.1833 177.2675 36 G 3.9063 8.8846 109.3905 46.3789 0.0000 172.9808 37 K 4.5236 7.4379 117.3662 53.6746 34.7148 175.8960 38 E 3.9814 8.7803 124.1099 56.2690 29.6046 175.7425 39 I 4.5518 8.1922 127.8961 60.2014 38.6348 175.5778 40 T 4.3735 8.8234 125.0925 62.8011 70.2157 174.4797 41 V 4.6812 8.2732 124.3860 61.3436 34.4519 174.2984 42 E 4.4176 9.0959 130.2502 54.6422 31.7838 174.3189 43 D 5.0246 8.7581 128.3779 52.8653 41.3198 174.7066 44 R 4.4525 9.0506 126.0005 54.8846 31.7819 177.6946 45 R 3.8722 8.4307 128.3123 57.6996 28.3527 177.3368 46 A 4.4232 8.6446 130.9910 52.6127 19.4810 175.8334 47 Y 5.1652 7.6523 115.4010 56.5255 41.1163 174.9059 48 V 4.7443 9.1438 123.9751 61.1332 34.3830 174.0295 49 R 4.8019 8.7919 128.9489 55.2220 31.3121 174.7155 50 I 5.0883 8.5056 127.1852 59.5715 39.6047 174.6183 51 A 5.0037 8.9409 127.6712 50.1897 22.9882 174.4886 52 A 5.0922 8.8264 121.0882 49.5569 23.0673 175.3074 53 E 4.1507 8.7628 121.7892 58.2200 29.9400 175.7055 54 G 4.4625 11.3000 122.4648 44.8980 0.0000 172.4437 55 E 5.3541 7.4571 117.8631 54.5813 32.9071 173.9778 56 L 4.8136 9.2966 128.4535 54.0334 45.1918 174.6505 57 I 4.9517 9.2788 128.0673 59.9948 39.4825 175.9370 58 L 4.7688 8.9197 125.1745 53.5189 45.5415 175.5063 59 T 4.8172 8.9177 115.3426 60.5897 70.5787 175.7326 60 R 4.1093 9.1633 125.7833 59.8592 30.0474 178.5773 61 K 3.9034 8.0919 118.3421 60.0632 32.2678 178.5073 62 T 3.8467 7.7702 115.5246 66.7788 68.3715 176.6492 63 L 3.7615 7.9822 120.7946 57.3342 41.3490 179.3160 64 E 3.9186 8.1981 119.4390 59.3125 29.4495 178.4973 65 E 3.9398 7.8443 117.2962 59.7728 29.6514 179.2935 66 Q 4.1031 8.0347 116.2503 58.0311 28.8123 177.7250 67 L 4.3852 7.5325 118.6740 54.0635 42.5461 176.6127 68 G 3.7909 8.9445 106.6595 46.0671 0.0000 173.4228 69 R 4.4113 7.6915 112.6325 54.4514 31.2365 172.1030 70 P 5.0423 0.0000 0.0000 62.6123 31.8172 175.7391 71 F 4.7936 8.5938 123.1338 56.2884 42.4847 172.9950 72 N 4.7684 7.5251 125.1786 51.4742 41.1953 174.9668 73 M 3.9959 8.5158 124.4390 58.6683 31.9905 178.4156 74 Q 4.0356 8.2061 119.6086 59.5845 28.7540 178.7867 75 E 3.9943 7.7778 119.6190 58.7909 29.9005 178.3962 76 L 4.2546 7.8981 120.0483 58.3181 42.4292 178.5591 77 E 4.0242 8.1954 118.5962 59.4623 29.2209 179.0557 78 I 3.9553 8.3090 117.1428 62.8847 38.1159 176.4675 79 N 5.0678 7.7433 115.8642 52.1701 38.4205 174.2682 80 L 4.5319 7.6326 121.6325 54.6454 41.2788 176.8738 81 A 4.2244 8.7585 127.4331 54.8853 19.1876 176.4205 82 S 4.6416 7.8042 108.4117 58.6886 65.9846 174.0955 83 F 5.2583 7.9859 114.0355 56.0868 40.1185 173.0894 84 A 4.6547 9.1362 121.3305 51.6806 22.0081 176.7938 85 G 3.9375 9.3366 107.4443 44.3450 0.0000 172.2221 86 Q 4.7575 8.1850 117.0782 54.1495 32.1014 174.9324 87 I 5.0047 8.0194 119.6272 59.7281 40.9109 175.2366 88 Q 4.7471 8.9340 123.8468 54.1336 31.9595 174.4561 89 A 5.1650 8.4396 124.0461 50.9933 22.1278 175.4801 90 D 4.4109 8.6669 118.1620 52.9181 41.4714 175.6384 91 E 4.0598 8.8167 115.2688 58.3429 30.4409 176.7454 92 D 4.7608 7.6489 119.8514 55.2024 42.4599 175.5410 93 Q 5.0302 7.8718 115.2479 55.4863 32.4189 172.8782 94 I 4.8288 8.4687 119.6759 59.1074 41.6536 173.9636 95 R 5.0040 8.8041 128.2626 54.6763 33.0978 173.7451 96 F 5.4949 9.4363 125.8100 56.4521 41.0675 174.5701 97 Y 5.5137 8.9105 120.3861 55.4608 41.7496 173.9213 98 F 4.4536 9.0717 123.8480 58.3747 39.7550 174.7031 99 D 3.9415 7.9116 125.7605 54.4736 41.6340 171.7836 100 K 3.8941 6.1751 130.1684 56.1081 34.0355 174.6710 101 T 3.9107 8.9326 125.2312 64.8328 67.7220 175.3384 *102 M 4.2815 9.2071 127.6245 55.4414 32.0959 177.3982 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 4.08 1.22 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 0.00 0.00 0.00 5 D 7.63 4.35 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 6 Q 8.54 4.87 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 7 A 8.00 4.30 1.18 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 0.00 0.00 8 L 7.28 3.89 0.00 1.50 1.69 0.90 0.94 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 9 H 7.80 4.74 0.00 3.35 3.34 0.00 5.76 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.48 4.55 0.00 2.88 2.88 0.00 0.00 7.15 7.67 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 11 N 8.83 4.30 0.00 2.63 2.40 0.00 0.00 6.27 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 12 N 8.38 5.14 0.00 2.63 2.83 0.00 0.00 6.73 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 13 V 10.08 4.50 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 0.93 0.00 0.00 1.25 0.00 0.00 14 G 7.50 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 0.00 0.00 0.00 15 P 0.00 4.64 0.00 2.08 2.00 0.00 3.49 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.87 0.00 16 I 8.71 5.04 1.98 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 1.21 0.99 0.99 0.00 0.00 17 I 8.64 5.20 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.79 0.97 0.00 0.00 18 R 8.05 4.41 0.00 1.93 1.82 0.00 3.35 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 19 A 8.96 3.97 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 20 G 8.40 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 0.00 0.00 0.00 21 D 8.35 4.51 0.00 2.70 2.76 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 0.00 0.00 0.00 22 L 7.73 4.33 0.00 1.76 1.69 1.09 1.00 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 23 V 7.50 3.56 2.19 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 1.02 0.00 0.00 0.94 0.00 0.00 24 E 8.16 3.89 0.00 2.10 1.93 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 2.38 2.47 0.00 25 P 0.00 4.19 0.00 2.11 2.00 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 2.18 2.11 0.00 26 V 7.67 3.60 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 1.12 0.00 0.00 0.96 0.00 0.00 27 I 7.96 3.68 2.02 0.00 0.00 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 1.51 0.58 0.90 0.00 0.00 28 E 8.25 4.49 0.00 1.98 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 2.31 2.36 0.00 29 T 7.89 3.93 4.36 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 0.00 0.00 0.00 1.21 0.00 0.00 30 A 8.33 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 31 E 8.16 3.88 0.00 2.06 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 0.00 2.30 2.35 0.00 32 I 7.67 3.79 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.72 0.90 0.00 0.00 33 D 8.17 4.72 0.00 2.77 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 34 N 7.92 5.08 0.00 2.83 2.73 0.00 0.00 6.60 8.02 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 35 P 0.00 4.28 0.00 2.18 2.07 0.00 3.94 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 1.99 1.98 0.00 36 G 8.88 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 0.00 0.00 0.00 37 K 7.44 4.52 0.00 1.88 1.70 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.49 7.81 38 E 8.78 3.98 0.00 1.92 1.88 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 2.28 2.32 0.00 39 I 8.19 4.55 1.87 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 1.48 0.99 0.90 0.00 0.00 40 T 8.82 4.37 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 1.20 0.00 0.00 41 V 8.27 4.68 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 0.92 0.00 0.00 42 E 9.10 4.42 0.00 2.06 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 2.19 2.21 0.00 43 D 8.76 5.02 0.00 2.72 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 44 R 9.05 4.45 0.00 1.88 1.87 0.00 3.29 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 45 R 8.43 3.87 0.00 2.11 1.17 0.00 3.42 0.00 0.00 3.25 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 46 A 8.64 4.42 0.82 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 0.00 0.00 47 Y 7.65 5.17 0.00 3.21 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 48 V 9.14 4.74 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 1.02 0.00 0.00 0.97 0.00 0.00 49 R 8.79 4.80 0.00 1.95 1.78 0.00 3.08 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 50 I 8.51 5.09 1.81 0.00 0.00 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 1.14 0.93 0.88 0.00 0.00 51 A 8.94 5.00 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 52 A 8.83 5.09 1.25 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 0.00 0.00 53 E 8.76 4.15 0.00 1.97 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 2.22 2.25 0.00 54 G 11.30 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 55 E 7.46 5.35 0.00 2.08 1.86 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 2.27 2.40 0.00 56 L 9.30 4.81 0.00 1.82 1.62 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 I 9.28 4.95 1.92 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 1.27 0.78 0.94 0.00 0.00 58 L 8.92 4.77 0.00 1.65 1.59 1.11 0.64 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 59 T 8.92 4.82 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 60 R 9.16 4.11 0.00 1.99 2.09 0.00 3.34 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.88 0.00 61 K 8.09 3.90 0.00 1.92 1.80 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.61 7.81 62 T 7.77 3.85 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 1.22 0.00 0.00 63 L 7.98 3.76 0.00 1.40 0.37 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.20 3.92 0.00 2.17 2.27 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 2.34 2.38 0.00 65 E 7.84 3.94 0.00 2.13 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 2.35 2.47 0.00 66 Q 8.03 4.10 0.00 1.93 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 67 L 7.53 4.39 0.00 1.67 1.74 0.88 1.22 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 68 G 8.94 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 0.00 0.00 0.00 69 R 7.69 4.41 0.00 1.92 1.90 0.00 3.13 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 70 P 0.00 5.04 0.00 2.08 2.08 0.00 3.70 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 71 F 8.59 4.79 0.00 2.92 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 72 N 7.53 4.77 0.00 2.54 2.32 0.00 0.00 7.21 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 73 M 8.52 4.00 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.75 0.00 74 Q 8.21 4.04 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 75 E 7.78 3.99 0.00 1.74 1.69 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 2.45 2.33 0.00 76 L 7.90 4.25 0.00 2.12 2.00 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.20 4.02 0.00 2.06 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 2.26 2.32 0.00 78 I 8.31 3.96 1.94 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 1.54 0.64 0.99 0.00 0.00 79 N 7.74 5.07 0.00 3.09 2.88 0.00 0.00 6.84 7.37 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 80 L 7.63 4.53 0.00 1.81 2.03 1.04 0.99 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 81 A 8.76 4.22 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 82 S 7.80 4.64 0.00 3.73 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 83 F 7.99 5.26 0.00 3.15 3.11 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 84 A 9.14 4.65 1.28 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 0.00 0.00 85 G 9.34 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 0.00 0.00 0.00 86 Q 8.19 4.76 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.70 0.00 0.00 0.00 0.00 0.00 2.09 1.90 0.00 87 I 8.02 5.00 1.64 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.21 0.58 0.00 0.00 88 Q 8.93 4.75 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 89 A 8.44 5.16 1.06 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 0.00 0.00 90 D 8.67 4.41 0.00 2.76 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 91 E 8.82 4.06 0.00 2.09 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 0.00 2.27 2.26 0.00 92 D 7.65 4.76 0.00 2.91 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 93 Q 7.87 5.03 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 94 I 8.47 4.83 1.77 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 0.22 1.44 1.00 0.00 0.00 95 R 8.80 5.00 0.00 1.85 1.69 0.00 3.07 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 96 F 9.44 5.49 0.00 3.12 3.03 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 97 Y 8.91 5.51 0.00 3.14 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 98 F 9.07 4.45 0.00 3.08 3.11 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 99 D 7.91 3.94 0.00 2.55 2.18 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 0.00 100 K 6.18 3.89 0.00 1.97 1.87 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.87 7.81 101 T 8.93 3.91 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 1.16 0.00 0.00 *102 M 9.21 4.28 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 * Residues marked with a * may have inaccurate shift predictions.