NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7774 8.0932 114.8062 57.7073 64.4674 174.3608 2 L 4.0582 8.4352 120.3355 57.2184 40.8289 178.5668 3 L 4.0065 8.4090 119.4163 57.9838 41.9144 178.9769 4 E 4.0708 8.0406 118.0282 59.2265 29.4025 179.1319 5 F 4.7079 8.7124 121.1423 61.3680 39.4939 177.2838 6 G 3.6522 8.4145 105.6604 47.8511 0.0000 175.5223 7 K 4.0123 7.9027 121.6216 59.2998 32.1581 178.6363 8 M 4.0873 8.1629 119.0398 58.6367 31.8682 178.5752 9 I 3.5854 7.5835 119.5171 64.3714 37.2088 178.0690 10 L 4.4766 7.8557 122.1672 57.8310 41.6951 178.8417 11 E 3.9690 8.2205 117.2297 59.3597 29.4473 178.8221 12 E 4.1196 8.3734 118.8496 58.8722 29.9638 177.9783 13 T 4.4947 8.0922 106.7712 60.4482 70.4992 175.3452 14 G 3.7522 8.1402 109.9994 46.2176 0.0000 173.2830 *16 K 4.6762 7.4042 117.5783 55.9042 33.5689 175.0001 17 L 4.4080 8.1036 121.3190 54.1648 42.7926 177.6358 18 A 4.0211 8.9096 126.8408 54.9955 18.4110 177.1115 19 I 4.6771 7.6459 115.2466 59.3592 38.5353 173.8275 20 P 4.8914 0.0000 0.0000 61.8875 31.7572 176.5150 21 S 4.3254 7.9189 115.9370 60.6911 62.7509 174.5774 22 Y 4.7159 8.3411 114.6965 57.4670 39.0480 176.2934 23 S 4.7008 8.1340 115.6293 59.4980 64.1842 174.7412 24 S 4.6951 7.8930 116.4182 58.0433 62.9705 172.2952 25 Y 4.8862 8.0886 121.9996 58.2868 40.5025 175.5720 26 G 3.7578 7.9334 116.2665 47.1522 0.0000 172.8877 27 C 4.5346 8.9693 115.7070 58.0048 40.9419 173.7764 28 Y 4.3617 9.1847 116.5321 58.3491 39.8715 175.0604 29 C 4.4829 8.3026 117.0064 60.3124 40.1514 171.9641 30 G 3.9221 9.6225 110.9687 45.2936 0.0000 172.4740 31 W 4.5711 8.8569 128.2159 60.3595 31.2843 177.2301 32 G 3.5401 8.2409 105.6019 45.7805 0.0000 172.3894 33 G 4.4330 7.3170 102.7461 44.6638 0.0000 173.5736 34 K 4.5183 6.9792 115.9910 55.7370 36.8075 178.5668 35 G 4.1410 8.6386 109.8132 44.8038 0.0000 172.1137 36 T 4.2648 7.9094 115.8799 61.6525 69.2278 173.4382 37 P 4.6425 0.0000 0.0000 62.7157 31.9752 176.8761 38 K 3.8607 9.1646 122.7355 59.0844 32.1851 176.9203 39 D 4.4700 7.4362 116.4853 50.9868 43.0018 175.6071 40 A 3.9968 8.6129 120.5791 55.9526 18.2155 179.6866 41 T 3.9895 8.0175 113.3498 67.0933 68.5767 176.0890 42 D 4.5857 8.6877 119.7566 57.4746 41.1047 178.5267 43 R 3.9857 8.3802 119.0417 59.3119 30.0092 178.0614 44 C 4.0965 8.5209 116.6125 60.5192 37.3870 175.7581 45 C 4.3408 8.3444 117.4442 59.8410 40.8836 175.8243 46 F 3.6153 8.3905 122.2972 61.3513 38.9106 177.4338 47 V 3.2753 7.9995 117.8892 65.9612 31.2429 177.4432 48 H 3.7863 8.2038 118.1524 59.2037 29.6213 176.9477 49 D 4.1620 8.2510 121.0316 57.5581 40.3785 178.2426 50 C 4.0267 7.5749 116.0683 59.7515 35.7425 174.9523 51 C 4.2419 8.2475 120.4989 59.9830 42.9967 175.2251 52 Y 4.2876 7.8154 118.3267 61.2054 37.2456 178.9775 53 G 3.6513 8.0333 105.3649 47.6361 0.0000 174.7005 54 N 4.8064 7.8239 116.4405 53.5438 39.1169 175.1321 55 L 4.5302 7.5855 120.9955 52.1040 42.0230 174.8490 56 P 4.1847 0.0000 0.0000 65.5385 31.8559 179.1124 *59 D 4.8113 7.7140 115.0970 54.4294 41.9562 175.9795 *61 C 5.4262 7.7057 115.7312 57.3144 37.9380 172.9872 *67 N 4.7298 7.9614 115.9986 52.7397 37.9392 173.6687 68 P 4.3052 0.0000 0.0000 64.1250 31.7151 178.1976 69 K 4.4389 7.8163 115.9502 56.5171 33.0244 177.0850 70 S 4.5830 7.7363 110.2973 57.9177 64.7949 173.8768 71 D 4.4173 8.5655 121.8131 53.9193 41.3154 175.2087 72 R 4.7049 8.7564 125.3533 54.0041 31.4468 175.0904 73 Y 4.9570 7.9410 119.6631 54.9476 41.2516 174.3955 74 K 4.9956 8.5876 118.4217 54.9489 35.4318 175.0747 75 Y 5.5164 8.3324 120.2397 55.6289 41.3933 173.6746 76 K 4.6694 9.1232 118.8407 55.3550 36.8959 174.7468 77 R 5.0669 8.5340 119.2072 54.6116 32.3719 176.6350 78 V 4.0861 8.7952 124.0455 61.5675 32.1601 173.5993 79 N 4.2292 9.6240 124.4062 53.8822 35.7330 173.5950 80 G 4.3225 8.2607 110.1300 45.6320 0.0000 172.7305 81 A 4.0697 7.6291 122.6104 52.0733 18.9107 176.1139 82 I 4.5218 8.2110 123.2405 60.5708 38.5213 175.5130 83 V 4.3835 8.8202 126.9495 61.0825 34.2145 173.7794 84 C 4.9608 8.8834 126.2387 56.9315 40.6026 173.6040 85 E 4.4934 8.9787 124.0068 55.1658 30.7431 176.6413 86 K 4.1505 8.5306 123.2309 56.2555 32.9957 175.2493 *88 G 4.2881 8.1989 117.4854 45.2540 0.0000 172.6582 89 T 4.2414 8.9070 116.2116 61.0047 71.0092 175.7850 90 S 4.1028 8.4701 116.2051 61.6667 62.9067 177.1377 91 C 4.2203 8.1287 119.6002 59.9271 41.2312 175.7327 92 E 3.9905 8.0747 119.7352 59.4504 29.1570 179.1631 93 N 4.2513 8.2774 116.4817 56.5479 38.7784 177.7634 94 R 3.9216 7.9664 119.3304 58.9643 30.1239 179.1293 95 I 3.6381 8.0483 120.1911 64.4604 37.0752 177.5184 96 C 3.0347 7.7295 119.1727 59.3610 38.6211 175.4679 97 E 3.7779 7.8139 119.7454 59.4900 29.0098 178.6692 98 C 4.1431 7.9055 116.0594 60.0660 40.5117 176.0193 99 D 3.8456 7.8456 120.3167 57.0254 40.5057 178.4897 100 K 3.7123 8.1987 120.3361 59.5875 32.0215 178.5584 101 A 3.8610 7.8051 120.3999 55.0236 18.3002 179.3999 102 A 3.4587 7.8517 119.0400 55.0710 18.3979 179.6862 103 A 3.9160 8.1331 119.4240 55.3638 18.4457 180.0293 104 I 3.6459 7.5763 118.1108 64.4545 36.9627 177.6285 105 C 4.1038 7.9736 118.5035 59.7952 37.9938 175.2657 106 F 4.6512 8.1416 119.4184 60.8184 37.9733 177.5915 107 R 3.9495 8.1629 118.1232 59.6350 29.6679 178.3568 108 Q 4.1017 8.5417 118.3940 58.2404 29.3444 176.8280 109 N 4.9205 7.8855 114.9157 52.6052 39.3469 176.1547 110 L 4.0754 7.6673 121.7766 58.0882 41.5608 178.9440 111 N 4.3503 8.3613 114.7119 55.5015 37.0562 175.4596 112 T 4.5144 8.2030 106.3244 60.9184 68.9810 173.7185 113 Y 4.1284 8.0311 124.7982 58.4498 39.3515 175.2098 114 S 4.9940 8.6753 122.5162 56.4389 66.1140 175.5272 115 K 4.0401 8.6936 124.2066 58.8521 32.1247 178.9437 116 K 3.7299 7.8835 119.0291 58.8483 32.1413 176.5204 117 Y 4.3461 7.4152 114.7777 57.9738 38.4309 175.5924 118 M 4.3228 7.5273 120.3167 56.4085 32.5441 175.8386 119 L 3.6963 8.3237 120.4775 55.6727 40.1347 174.7091 120 Y 4.1565 8.0653 118.2131 56.8021 39.5612 173.4544 121 P 4.3799 0.0000 0.0000 62.1867 32.5536 176.4085 122 D 4.3857 9.1431 122.9928 57.3894 41.0561 178.4751 *124 F 4.8524 7.8408 110.6838 56.5266 39.5939 175.0144 125 L 4.0542 6.6440 120.3610 54.6894 41.1689 176.4928 126 C 4.8329 7.7453 118.7578 54.7048 40.7055 172.6211 127 K 4.5540 8.2364 124.4966 55.4105 34.6369 176.2476 128 G 4.0747 9.6940 110.1740 44.4021 0.0000 171.7519 129 E 4.9363 8.0785 114.4009 54.8115 32.4631 174.3901 130 L 4.4856 8.2107 121.6185 53.6886 44.9199 175.2252 131 K 4.3375 8.5762 125.7619 55.6107 33.3526 177.4214 *133 C 4.4875 8.6755 119.6948 57.3333 41.5236 173.6599 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 8.09 4.78 0.00 4.18 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 0.00 2 L 8.44 4.06 0.00 1.95 1.89 1.25 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.41 4.01 0.00 1.73 1.71 0.92 0.86 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 4 E 8.04 4.07 0.00 1.80 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 1.79 2.29 0.00 5 F 8.71 4.71 0.00 3.36 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 6 G 8.41 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 0.00 0.00 0.00 7 K 7.90 4.01 0.00 1.90 2.09 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.55 7.81 8 M 8.16 4.09 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.35 0.00 9 I 7.58 3.59 1.76 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.25 0.62 0.00 0.00 10 L 7.86 4.48 0.00 1.75 1.83 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.22 3.97 0.00 2.21 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 0.00 2.41 2.58 0.00 12 E 8.37 4.12 0.00 2.20 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 0.00 2.39 2.37 0.00 13 T 8.09 4.49 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 14 G 8.14 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 *16 K 7.40 4.68 0.00 1.87 1.62 0.00 1.44 0.00 0.00 0.93 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.28 7.81 17 L 8.10 4.41 0.00 1.70 1.69 0.91 1.02 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 18 A 8.91 4.02 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 19 I 7.65 4.68 1.90 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 1.53 0.72 0.95 0.00 0.00 20 P 0.00 4.89 0.00 2.19 2.15 0.00 3.36 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.92 4.33 0.00 3.89 3.28 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 22 Y 8.34 4.72 0.00 2.79 2.69 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 23 S 8.13 4.70 0.00 4.11 4.21 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 24 S 7.89 4.70 0.00 4.04 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 25 Y 8.09 4.89 0.00 3.08 2.85 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 26 G 7.93 3.76 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 0.00 0.00 0.00 27 C 8.97 4.53 0.00 2.62 2.94 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 28 Y 9.18 4.36 0.00 3.30 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 29 C 8.30 4.48 0.00 3.47 3.56 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 30 G 9.62 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 0.00 0.00 0.00 31 W 8.86 4.57 0.00 3.28 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 32 G 8.24 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.32 4.43 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 34 K 6.98 4.52 0.00 1.56 1.60 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 1.33 7.81 35 G 8.64 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 0.00 0.00 0.00 0.00 36 T 7.91 4.26 4.21 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 1.14 0.00 0.00 37 P 0.00 4.64 0.00 1.96 2.05 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 38 K 9.16 3.86 0.00 0.79 0.82 0.00 1.45 0.00 0.00 1.32 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 0.60 7.81 39 D 7.44 4.47 0.00 2.82 2.56 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 40 A 8.61 4.00 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 41 T 8.02 3.99 4.35 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 1.00 0.00 0.00 42 D 8.69 4.59 0.00 3.00 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 43 R 8.38 3.99 0.00 2.09 1.99 0.00 3.17 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 44 C 8.52 4.10 0.00 3.19 2.75 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 45 C 8.34 4.34 0.00 3.45 3.50 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 46 F 8.39 3.62 0.00 2.62 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 47 V 8.00 3.28 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 0.85 0.00 0.00 0.99 0.00 0.00 48 H 8.20 3.79 0.00 3.09 3.28 0.00 5.65 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 49 D 8.25 4.16 0.00 2.66 2.56 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 50 C 7.57 4.03 0.00 2.73 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 51 C 8.25 4.24 0.00 2.91 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 52 Y 7.82 4.29 0.00 3.08 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 53 G 8.03 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 0.00 0.00 0.00 54 N 7.82 4.81 0.00 2.89 2.84 0.00 0.00 6.81 7.80 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 55 L 7.59 4.53 0.00 1.50 1.54 0.86 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.16 2.06 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 *59 D 7.71 4.81 0.00 2.74 2.69 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 *61 C 7.71 5.43 0.00 2.90 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 *67 N 7.96 4.73 0.00 2.82 2.78 0.00 0.00 7.62 8.03 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 68 P 0.00 4.31 0.00 1.37 0.49 0.00 3.43 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 69 K 7.82 4.44 0.00 1.76 1.91 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.42 7.81 70 S 7.74 4.58 0.00 3.92 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 71 D 8.57 4.42 0.00 2.71 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 72 R 8.76 4.70 0.00 1.82 1.80 0.00 3.23 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.51 0.00 73 Y 7.94 4.96 0.00 3.04 2.96 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 74 K 8.59 5.00 0.00 1.74 1.84 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.37 7.81 75 Y 8.33 5.52 0.00 3.11 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 76 K 9.12 4.67 0.00 1.80 1.89 0.00 1.29 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.53 5.07 0.00 1.73 1.93 0.00 3.39 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 78 V 8.80 4.09 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 1.02 0.00 0.00 0.96 0.00 0.00 79 N 9.62 4.23 0.00 2.87 2.81 0.00 0.00 7.22 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 80 G 8.26 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 0.00 0.00 0.00 0.00 81 A 7.63 4.07 1.37 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 0.00 0.00 0.00 82 I 8.21 4.52 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.82 0.00 0.00 83 V 8.82 4.38 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.96 0.00 2.86 2.96 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 85 E 8.98 4.49 0.00 2.09 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 2.35 2.31 0.00 86 K 8.53 4.15 0.00 1.80 1.72 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.20 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 0.00 0.00 0.00 0.00 89 T 8.91 4.24 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 1.27 0.00 0.00 90 S 8.47 4.10 0.00 4.05 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 0.00 91 C 8.13 4.22 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 92 E 8.07 3.99 0.00 2.23 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 0.00 2.50 2.64 0.00 93 N 8.28 4.25 0.00 2.87 2.82 0.00 0.00 7.07 7.19 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 94 R 7.97 3.92 0.00 1.81 1.91 0.00 3.09 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 95 I 8.05 3.64 1.84 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 1.19 0.57 0.98 0.00 0.00 96 C 7.73 3.03 0.00 1.82 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 97 E 7.81 3.78 0.00 2.08 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 0.00 2.40 2.42 0.00 98 C 7.91 4.14 0.00 3.18 2.90 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 99 D 7.85 3.85 0.00 2.80 2.75 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 0.00 100 K 8.20 3.71 0.00 1.68 1.90 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.40 7.81 101 A 7.81 3.86 1.26 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 0.00 0.00 102 A 7.85 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.13 3.92 1.36 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 0.00 0.00 0.00 104 I 7.58 3.65 1.92 0.00 0.00 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 1.38 0.47 0.87 0.00 0.00 105 C 7.97 4.10 0.00 2.90 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 0.00 106 F 8.14 4.65 0.00 3.02 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 0.00 107 R 8.16 3.95 0.00 1.96 2.11 0.00 3.17 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.54 4.10 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 109 N 7.89 4.92 0.00 2.93 2.90 0.00 0.00 6.82 6.04 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 0.00 110 L 7.67 4.08 0.00 1.90 1.80 0.97 0.49 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 0.00 111 N 8.36 4.35 0.00 2.87 3.02 0.00 0.00 5.88 7.71 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 0.00 112 T 8.20 4.51 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 0.00 113 Y 8.03 4.13 0.00 3.04 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 0.00 114 S 8.68 4.99 0.00 3.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.69 4.04 0.00 1.83 1.89 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.59 7.81 116 K 7.88 3.73 0.00 1.48 1.48 0.00 1.52 0.00 0.00 1.33 0.00 0.00 2.40 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.38 1.13 7.81 117 Y 7.42 4.35 0.00 1.79 1.67 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 0.00 118 M 7.53 4.32 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 119 L 8.32 3.70 0.00 1.79 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.07 4.16 0.00 3.09 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 0.00 121 P 0.00 4.38 0.00 2.19 2.06 0.00 2.42 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 122 D 9.14 4.39 0.00 2.87 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 *124 F 7.84 4.85 0.00 3.24 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 0.00 125 L 6.64 4.05 0.00 1.00 1.43 0.34 0.69 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 0.00 126 C 7.75 4.83 0.00 3.19 3.09 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 0.00 0.00 0.00 0.00 127 K 8.24 4.55 0.00 1.74 1.63 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.41 7.81 128 G 9.69 4.07 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 0.00 0.00 0.00 129 E 8.08 4.94 0.00 2.05 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 0.00 2.18 2.29 0.00 130 L 8.21 4.49 0.00 1.33 1.16 0.80 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.58 4.34 0.00 1.82 1.76 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.47 7.81 *133 C 8.68 4.49 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.