NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2631 8.1233 123.5737 52.5654 21.3107 178.9704 3 T 3.9508 7.8302 111.2841 65.7976 68.4905 173.1109 4 E 3.9716 8.4075 121.0036 59.0881 30.0673 177.9357 5 K 3.5971 8.0570 119.1766 60.1116 31.9754 178.0192 6 Y 4.1249 7.4375 115.1243 61.1704 37.7746 177.7776 7 H 4.0559 8.1510 116.8884 58.8491 28.8399 177.4315 8 E 3.8861 8.4272 121.2587 59.2389 29.4725 178.8818 9 I 3.5503 7.5982 119.8377 64.3128 37.1646 178.3733 10 L 3.2348 7.5703 119.6872 57.4406 41.2740 179.7813 11 K 4.0274 7.8363 118.3492 59.4730 31.9623 179.6282 12 K 3.8923 8.0244 118.7282 59.2440 31.6333 178.7854 13 Y 3.9128 7.5547 119.1346 60.7664 39.0553 177.9464 14 F 4.2362 7.7254 118.5611 60.6068 39.0691 177.7393 15 L 4.2428 8.3285 118.2765 57.4040 41.3608 179.5748 16 S 3.7338 7.7090 115.0605 61.1031 62.2297 176.3244 17 F 4.4951 8.0092 118.9546 59.6507 38.7140 176.7363 18 E 4.2836 7.9574 118.2562 59.3001 29.6491 178.1756 19 T 3.9875 7.8511 107.0933 62.2757 69.3870 175.9078 20 G 3.7353 8.4918 108.7037 45.2160 0.0000 172.7113 21 D 4.6742 7.5662 119.4901 52.5050 40.9839 175.8490 22 F 4.3557 8.6449 124.8328 57.8131 39.4642 178.0921 23 S 4.2851 8.2067 116.2579 61.1504 62.7524 175.5736 24 Q 4.0813 7.9139 118.0787 57.0007 28.9056 175.8212 25 V 3.7221 7.3222 118.7795 61.6398 32.3647 175.3135 26 Q 4.2490 8.3214 126.1876 55.7463 29.2578 174.5835 27 F 5.5009 8.5696 122.9304 55.4953 41.7544 176.0102 28 S 4.7238 9.2935 118.1986 58.1131 63.0394 175.0122 29 C 4.2735 9.1823 120.0670 60.8055 29.4962 174.1987 30 N 4.8334 7.8577 116.6654 52.7632 38.4696 174.5253 31 L 4.3566 7.6959 121.1846 56.1936 43.1633 175.9400 32 E 5.2617 9.3986 124.2904 54.5761 34.2150 174.3853 33 F 4.7801 8.8992 124.1644 56.3553 42.8053 173.4755 34 L 4.3315 7.6882 129.3216 53.5471 41.3335 175.8877 35 S 4.5059 8.2732 121.4800 57.0971 63.1575 173.4928 36 P 4.3960 0.0000 0.0000 64.9554 31.2942 177.1672 37 I 4.3428 7.5552 110.0602 60.1906 37.7336 175.2021 38 S 4.5507 7.4638 113.3989 57.3205 65.3972 174.7383 39 G 3.6420 8.6477 115.9317 47.9674 0.0000 173.6969 40 N 4.6616 7.5445 117.8460 51.9215 39.5287 175.2046 41 T 4.1698 8.1859 113.2268 61.7336 69.9594 173.7943 42 L 4.3805 8.9064 124.3797 54.5159 43.1506 175.9583 43 K 4.7937 9.3073 123.3103 55.7912 34.4939 177.4148 44 G 4.0956 9.5225 110.3541 45.9250 0.0000 174.1859 45 T 3.6009 8.2816 110.5101 64.5881 68.2366 176.3449 46 E 3.9066 8.0978 119.0572 58.7511 29.8590 178.1328 47 E 4.2425 7.8421 118.4740 58.1808 30.2925 178.4750 48 V 3.3546 7.5847 118.1173 65.9379 31.6554 178.1079 49 I 3.1652 7.4583 119.4601 63.9045 36.9617 176.7030 50 P 4.2669 0.0000 0.0000 65.2604 31.0658 178.5111 51 F 4.0129 7.5997 118.8076 61.1931 39.2692 177.2061 52 L 3.5099 7.5754 118.5935 57.5717 41.1711 179.4930 53 K 4.0454 7.5386 120.1134 58.7233 31.7332 179.5263 54 G 3.4305 7.4847 104.7098 47.7795 0.0000 175.6009 55 V 3.2798 7.2033 121.2512 65.6000 31.4234 178.1637 56 T 4.0780 8.1962 109.9838 64.9581 68.2199 176.3376 57 T 4.1310 7.6082 111.7141 63.6519 68.8252 175.0752 58 R 4.7382 8.0330 119.9424 54.8404 30.6165 174.8136 59 V 4.9306 7.8324 117.9881 61.2811 33.1954 175.2879 60 A 4.5522 9.2960 130.0505 53.6418 20.0771 176.4764 61 E 4.8677 7.6418 113.2817 55.3326 32.5886 174.8025 62 V 4.8319 8.4132 123.6134 61.1921 35.1948 174.0790 63 N 5.0508 9.2406 124.7952 52.1449 41.9706 173.7272 64 I 4.6299 8.5136 126.7022 59.9786 39.7319 174.8961 *66 S 4.5336 8.3001 117.2362 58.6991 64.5308 172.7243 67 T 5.2857 8.4628 109.8551 60.5256 72.0180 173.2138 68 T 4.7884 9.2699 119.8855 62.0406 72.8604 173.0081 69 V 4.6601 8.5005 125.2471 61.2468 34.5850 175.0254 70 E 4.4965 9.0807 127.9493 53.5132 30.1378 172.7036 71 Y 3.9287 8.3782 124.6739 57.5119 39.4993 174.5926 72 P 3.1501 0.0000 0.0000 62.6609 32.6721 175.3064 73 R 4.8416 7.9672 119.6835 55.3483 32.7164 175.0044 74 A 5.1171 8.4831 122.3434 51.4143 23.4316 175.1092 75 S 5.6100 8.8679 112.8596 58.0050 67.0358 173.5445 76 G 4.8309 8.9386 106.6905 45.1744 0.0000 171.5343 77 V 5.1653 8.6358 123.9738 60.8650 33.0006 174.8781 78 W 5.1869 8.9230 123.8341 56.0081 32.2426 172.8526 79 Q 4.7294 8.9649 117.7671 53.2087 32.6462 173.6796 *81 R 4.3737 8.4592 119.1666 57.0197 31.5034 176.6392 82 T 4.8381 8.5726 117.3561 61.5084 69.7788 175.7103 83 T 4.0972 9.1736 112.1781 63.8055 68.9192 175.9389 84 K 4.1585 7.8824 120.6506 56.4995 32.4762 177.4147 85 G 3.9898 8.1082 107.2295 44.9380 0.0000 173.9707 86 T 3.7811 7.7413 117.6070 63.1296 69.5919 173.3481 87 L 4.4925 8.0588 128.6158 53.8152 42.6000 174.9193 88 Y 4.6817 7.9614 124.3562 57.0599 40.4386 174.7023 89 T 4.8092 8.4952 118.9716 61.7731 71.4764 173.2609 90 L 4.6893 8.8540 125.6969 53.0790 45.7728 175.3636 91 H 5.4028 8.5084 120.2198 54.5972 31.5791 171.7924 92 N 4.7953 9.3181 123.2209 52.5159 40.1573 173.8298 93 F 4.9668 8.7839 125.7300 56.7390 41.5007 174.4886 94 F 5.3118 8.3464 123.7863 55.7021 43.1153 174.0572 95 R 4.8822 8.7850 120.2312 54.4517 33.0728 175.0574 96 L 5.3680 8.6296 121.6152 53.3212 45.5708 175.8298 97 D 4.9756 8.9595 118.8186 51.4143 42.2524 175.6628 98 E 4.1854 9.0596 117.1459 59.4749 29.4519 177.6906 99 E 4.4828 8.6653 116.5090 55.6461 31.2552 175.5671 100 G 4.2541 7.5626 105.6106 44.3034 0.0000 176.0563 101 I 4.5829 9.4492 129.0981 61.0774 37.4332 175.8351 102 V 4.4787 9.0889 126.0290 61.8461 34.0857 174.8348 103 Y 5.7471 7.8389 122.0184 56.0135 42.5705 173.4926 104 V 4.5753 7.7717 124.8775 60.9008 35.3609 173.8252 105 W 5.1512 9.0674 135.0000 54.9816 32.7942 172.5828 106 P 4.9637 0.0000 0.0000 61.9809 32.4715 175.5979 *108 F 4.5736 8.2990 117.6355 56.9050 39.9168 174.9466 109 D 4.4969 8.9690 125.0411 53.8667 41.3014 174.9876 110 P 4.4818 0.0000 0.0000 65.2581 32.0635 178.6894 111 K 3.9160 8.2274 118.0151 59.5164 31.9926 178.3410 112 A 4.0355 7.9583 119.5535 55.0940 18.1162 178.5754 113 V 3.9430 7.6369 113.5322 63.8570 30.9835 177.4183 *115 E 4.3522 8.1095 119.3767 56.0289 31.1688 176.1124 116 N 4.9492 7.6059 114.4587 51.7145 40.7913 171.5452 117 P 4.5085 0.0000 0.0000 65.2748 32.2933 178.6801 118 D 4.5058 8.2434 117.4037 57.2125 40.5827 178.3659 119 A 4.2885 8.1661 121.2172 55.0415 18.2386 179.4230 120 L 4.1215 7.6592 118.7726 57.9632 42.1595 179.0973 121 I 3.7283 7.8032 118.0373 64.2282 37.8909 177.6521 122 Q 4.3758 8.2301 120.3225 58.2015 28.3329 178.6321 123 W 3.9561 8.6011 128.7695 60.2687 30.9072 177.8251 124 L 3.7013 8.1821 118.3986 57.9678 41.2345 179.2430 125 T 4.2142 8.1428 108.2421 62.1276 69.2140 176.0619 126 G 3.7455 8.3407 110.8128 45.7701 0.0000 173.6929 127 K 4.3245 8.0844 122.6692 54.3983 32.3150 181.6269 128 D 4.3973 8.7785 123.5450 54.5814 38.4047 173.2673 129 Y 4.3343 8.2236 125.0376 57.8815 38.8460 174.8814 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 A 8.12 4.26 1.29 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 3 T 7.83 3.95 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 1.33 0.00 0.00 4 E 8.41 3.97 0.00 2.07 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 2.35 2.40 0.00 5 K 8.06 3.60 0.00 1.62 1.68 0.00 1.39 0.00 0.00 0.82 0.00 0.00 2.76 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.97 1.27 7.81 6 Y 7.44 4.12 0.00 3.24 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 7 H 8.15 4.06 0.00 3.49 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.43 3.89 0.00 1.96 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 2.22 2.29 0.00 9 I 7.60 3.55 1.89 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.68 0.73 0.00 0.00 10 L 7.57 3.23 0.00 1.58 1.22 0.20 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.03 0.00 1.92 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.69 7.81 12 K 8.02 3.89 0.00 1.81 1.74 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.50 7.81 13 Y 7.55 3.91 0.00 2.71 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 14 F 7.73 4.24 0.00 3.14 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 15 L 8.33 4.24 0.00 1.67 1.73 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.71 3.73 0.00 2.91 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 17 F 8.01 4.50 0.00 3.45 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.96 4.28 0.00 2.13 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 0.00 2.45 2.38 0.00 19 T 7.85 3.99 4.18 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 1.23 0.00 0.00 20 G 8.49 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 21 D 7.57 4.67 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.64 4.36 0.00 3.25 3.32 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 23 S 8.21 4.29 0.00 4.03 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 0.00 24 Q 7.91 4.08 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 25 V 7.32 3.72 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 -0.11 0.00 0.00 0.84 0.00 0.00 26 Q 8.32 4.25 0.00 1.96 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 27 F 8.57 5.50 0.00 2.98 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 28 S 9.29 4.72 0.00 4.17 3.92 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 29 C 9.18 4.27 0.00 3.16 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 30 N 7.86 4.83 0.00 2.83 2.91 0.00 0.00 6.90 7.49 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 31 L 7.70 4.36 0.00 2.03 1.52 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.40 5.26 0.00 2.15 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 2.26 2.48 0.00 33 F 8.90 4.78 0.00 2.93 2.68 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 0.00 0.00 0.00 0.00 34 L 7.69 4.33 0.00 1.13 0.98 0.63 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.27 4.51 0.00 3.76 3.57 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 0.00 0.00 0.00 0.00 36 P 0.00 4.40 0.00 2.20 2.21 0.00 3.99 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 I 7.56 4.34 1.88 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 1.18 0.49 0.97 0.00 0.00 38 S 7.46 4.55 0.00 3.74 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.65 3.64 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 0.00 0.00 0.00 40 N 7.54 4.66 0.00 2.64 2.71 0.00 0.00 7.04 7.43 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 41 T 8.19 4.17 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 1.18 0.00 0.00 42 L 8.91 4.38 0.00 1.57 1.52 0.42 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.31 4.79 0.00 1.55 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.51 7.81 44 G 9.52 4.10 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 0.00 0.00 0.00 45 T 8.28 3.60 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 1.08 0.00 0.00 46 E 8.10 3.91 0.00 2.10 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 2.23 2.32 0.00 47 E 7.84 4.24 0.00 2.04 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 2.28 2.34 0.00 48 V 7.58 3.35 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 0.72 0.00 0.00 0.87 0.00 0.00 49 I 7.46 3.17 1.82 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.20 0.76 0.00 0.00 50 P 0.00 4.27 0.00 2.10 2.04 0.00 3.55 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 51 F 7.60 4.01 0.00 3.10 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 52 L 7.58 3.51 0.00 0.61 0.80 0.81 1.11 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 53 K 7.54 4.05 0.00 1.65 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.26 7.81 54 G 7.48 3.43 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 55 V 7.20 3.28 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 0.58 0.00 0.00 0.09 0.00 0.00 56 T 8.20 4.08 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 1.30 0.00 0.00 57 T 7.61 4.13 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 1.24 0.00 0.00 58 R 8.03 4.74 0.00 1.78 1.87 0.00 2.21 0.00 0.00 2.57 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 0.00 59 V 7.83 4.93 2.47 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 1.07 0.00 0.00 1.45 0.00 0.00 60 A 9.30 4.55 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 61 E 7.64 4.87 0.00 1.98 1.79 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 2.22 2.32 0.00 62 V 8.41 4.83 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 1.34 0.00 0.00 1.26 0.00 0.00 63 N 9.24 5.05 0.00 2.84 2.60 0.00 0.00 7.04 7.60 0.00 0.00 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 I 8.51 4.63 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 1.08 0.00 0.00 *66 S 8.30 4.53 0.00 3.99 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 67 T 8.46 5.29 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 1.39 0.00 0.00 68 T 9.27 4.79 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 1.27 0.00 0.00 69 V 8.50 4.66 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 0.79 0.00 0.00 0.68 0.00 0.00 70 E 9.08 4.50 0.00 2.01 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 2.21 2.25 0.00 71 Y 8.38 3.93 0.00 2.95 2.80 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 72 P 0.00 3.15 0.00 1.71 1.29 0.00 3.57 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 1.82 1.76 0.00 73 R 7.97 4.84 0.00 1.87 1.83 0.00 3.32 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 74 A 8.48 5.12 1.05 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 0.00 0.00 75 S 8.87 5.61 0.00 3.98 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 76 G 8.94 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.64 5.17 2.12 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 0.81 0.00 0.00 0.89 0.00 0.00 78 W 8.92 5.19 0.00 3.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.96 4.73 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.60 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 *81 R 8.46 4.37 0.00 1.86 1.83 0.00 3.16 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 82 T 8.57 4.84 4.39 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 0.29 0.00 0.00 83 T 9.17 4.10 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 1.32 0.00 0.00 84 K 7.88 4.16 0.00 1.70 1.80 0.00 1.23 0.00 0.00 1.44 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.89 7.81 85 G 8.11 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 86 T 7.74 3.78 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 0.20 0.00 0.00 87 L 8.06 4.49 0.00 1.46 1.41 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.96 4.68 0.00 2.69 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 89 T 8.50 4.81 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 1.21 0.00 0.00 90 L 8.85 4.69 0.00 0.80 1.24 0.19 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.51 5.40 0.00 3.05 3.15 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.32 4.80 0.00 3.01 1.92 0.00 0.00 6.39 8.19 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 93 F 8.78 4.97 0.00 2.94 2.82 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 94 F 8.35 5.31 0.00 2.64 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 95 R 8.79 4.88 0.00 1.84 1.74 0.00 3.02 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 96 L 8.63 5.37 0.00 0.82 1.30 0.44 0.90 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 97 D 8.96 4.98 0.00 2.88 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 98 E 9.06 4.19 0.00 2.04 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 2.37 2.49 0.00 99 E 8.67 4.48 0.00 2.15 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 2.34 2.31 0.00 100 G 7.56 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 0.00 0.00 0.00 101 I 9.45 4.58 2.03 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 1.18 0.00 0.00 102 V 9.09 4.48 2.31 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 0.78 0.00 0.00 1.05 0.00 0.00 103 Y 7.84 5.75 0.00 3.12 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 0.00 104 V 7.77 4.58 2.23 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 0.79 0.00 0.00 1.07 0.00 0.00 105 W 9.07 5.15 0.00 3.37 3.14 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 0.00 106 P 0.00 4.96 0.00 2.18 2.32 0.00 3.83 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 *108 F 8.30 4.57 0.00 2.98 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 0.00 109 D 8.97 4.50 0.00 2.59 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 0.00 110 P 0.00 4.48 0.00 2.28 2.32 0.00 3.79 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 2.09 2.01 0.00 111 K 8.23 3.92 0.00 1.92 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.40 7.81 112 A 7.96 4.04 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 0.00 113 V 7.64 3.94 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 0.88 0.00 0.00 0.88 0.00 0.00 *115 E 8.11 4.35 0.00 2.00 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 2.20 2.45 0.00 116 N 7.61 4.95 0.00 2.66 2.68 0.00 0.00 7.22 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 0.00 117 P 0.00 4.51 0.00 2.23 2.10 0.00 3.67 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 2.12 2.22 0.00 118 D 8.24 4.51 0.00 2.72 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 0.00 119 A 8.17 4.29 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 0.00 120 L 7.66 4.12 0.00 1.83 1.79 0.25 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 I 7.80 3.73 1.91 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 1.67 1.38 1.06 0.00 0.00 122 Q 8.23 4.38 0.00 2.57 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 2.69 2.44 0.00 123 W 8.60 3.96 0.00 3.54 3.64 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 0.00 124 L 8.18 3.70 0.00 1.82 1.77 0.95 1.01 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 0.00 125 T 8.14 4.21 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 0.00 126 G 8.34 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.08 4.32 0.00 1.71 1.71 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.27 7.81 128 D 8.78 4.40 0.00 2.89 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 0.00 129 Y 8.22 4.33 0.00 3.12 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 * Residues marked with a * may have inaccurate shift predictions.