NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.6024 0.0000 0.0000 62.5224 32.8906 175.4359 11 V 3.5746 8.2141 125.2775 62.4625 32.5065 173.3478 12 K 4.6213 9.2409 129.5881 55.9875 33.9915 175.0106 13 H 5.3881 9.5390 126.2947 54.6414 31.7856 173.1818 14 V 5.0072 9.2068 126.4734 60.9810 34.4729 173.9170 15 L 5.3099 9.1968 129.0891 53.2999 45.4455 174.8510 16 L 5.3296 8.9126 125.4458 53.2239 45.2300 175.4319 17 A 5.1872 8.4128 123.2550 51.9254 23.5730 174.5899 18 S 5.0420 8.0261 111.6951 55.5640 66.0038 172.7061 19 F 4.8041 8.7739 124.2216 55.8192 40.0977 175.9354 20 K 5.0288 9.3175 124.1091 56.2763 33.6163 176.0857 21 D 4.5376 8.5432 120.6632 56.1764 41.2308 176.4051 22 G 4.0029 8.8780 110.8649 45.4481 0.0000 174.0867 23 V 3.5568 7.1877 119.4293 62.7723 31.8225 176.5541 24 S 4.4644 8.3704 122.4170 57.2761 65.4267 173.2745 25 P 4.1880 0.0000 0.0000 65.7711 31.0552 178.9362 26 E 3.9964 8.0360 117.0933 58.9327 29.3723 179.1261 27 K 3.8434 8.0870 119.9543 59.5881 32.2432 178.8736 28 I 2.9873 7.5276 120.0623 64.1103 36.8608 178.2166 29 E 3.8451 8.0298 119.2617 59.5294 29.3678 179.0875 30 E 3.9621 8.1223 119.1920 59.1952 29.6666 178.7898 31 L 4.2280 8.5998 119.5753 57.9382 41.5809 179.6153 32 I 3.9654 8.0439 119.9651 64.3736 37.0574 178.6957 33 K 4.0555 8.2763 119.5513 59.2888 31.5951 179.7054 34 G 3.4312 8.3008 105.9103 47.5679 0.0000 175.0413 35 Y 3.9902 7.9939 121.5354 60.5346 38.9940 177.7145 36 A 2.5800 7.5068 121.6461 54.4381 18.3989 178.5115 37 N 4.3468 7.4726 113.9068 55.2775 39.0243 176.2978 38 L 4.1274 7.7987 120.1074 56.9821 41.5224 179.1243 39 V 3.4698 7.2029 118.3951 65.9579 31.5739 177.3674 40 N 4.4478 7.8434 114.4203 56.4202 38.6155 177.0995 41 L 4.3593 7.6994 118.8228 55.4757 41.7702 176.9817 42 I 4.3442 7.3532 119.2807 59.1074 38.6219 174.6437 43 E 4.0425 9.2592 127.3160 58.8287 29.8701 176.2679 44 P 4.5466 0.0000 0.0000 63.1775 28.9672 175.3097 *46 K 4.3198 7.4642 120.1452 56.1350 34.0032 177.3450 47 A 4.8538 7.6823 118.1927 50.1475 23.2062 174.0077 48 F 5.1129 8.3789 120.3503 57.2901 42.3459 173.2950 49 H 5.1663 9.0839 122.6702 54.0963 33.3365 172.1396 50 W 5.2232 7.7211 116.2393 55.9468 31.3924 173.3443 51 G 3.7806 8.5977 104.4250 45.7095 0.0000 172.8638 52 K 4.8609 8.6016 122.3720 54.9826 33.9696 175.3632 53 D 4.5865 8.9820 125.5993 53.4797 41.9119 176.6546 54 V 4.4647 8.0970 119.7791 60.7934 32.8204 175.8038 55 S 4.4142 9.2943 115.7244 58.7610 63.2299 173.6892 56 I 4.5768 7.9382 117.7793 60.8714 38.8294 176.5038 57 E 4.0944 8.2995 118.2420 56.3383 29.9434 175.5562 58 N 4.0994 8.0943 116.1004 55.2340 36.9657 173.8568 59 L 4.7503 7.5559 112.7359 54.6092 43.4403 178.0477 60 H 4.3413 7.9775 113.9176 55.9773 28.7639 175.7361 61 Q 3.2767 8.7281 117.6327 56.9068 26.8105 174.3252 62 G 4.0677 8.7350 107.7551 45.6472 0.0000 174.5453 63 Y 4.1441 7.5484 117.0194 58.6191 38.2072 175.9534 64 T 4.5760 9.0186 112.8061 62.2500 71.7000 173.4174 65 H 5.1329 8.3027 117.3473 53.8789 33.8396 172.4604 66 I 4.5899 8.1777 118.9292 59.7446 41.4859 173.3778 67 F 5.2084 9.4785 128.2476 55.5307 42.2154 173.8024 68 E 5.0231 9.2623 124.4653 54.4689 32.2718 174.6650 69 S 5.1682 9.3727 122.8038 56.9853 66.7353 173.3882 70 T 4.7683 8.4623 119.4818 62.1333 70.7995 173.5709 71 F 4.5982 9.1296 125.5822 55.9446 41.5601 177.0131 72 E 4.1732 8.9339 119.2332 58.1412 30.0505 176.5768 73 S 4.7208 7.5859 111.2341 55.2915 66.6103 174.6120 74 K 3.9171 8.5914 120.6247 59.6593 31.7636 178.4722 75 E 4.0028 7.8111 119.1311 58.9631 29.1988 179.2145 76 A 4.0361 7.6899 121.1462 55.2972 18.5518 179.8714 77 V 2.3521 7.4902 115.9836 65.4389 31.2472 177.6202 78 A 3.9115 7.5200 119.9001 55.3640 18.4654 179.0815 79 E 4.0532 8.6138 116.8916 59.6230 29.6298 178.7137 80 Y 4.3095 8.2121 119.7553 61.2982 38.5404 178.6654 81 I 3.1841 7.5193 118.5319 63.7361 37.1421 177.2549 82 A 4.4480 7.7283 119.5772 51.3030 18.7693 175.9514 83 H 4.6565 7.6463 120.9531 54.7628 31.1494 174.2480 84 P 4.2141 0.0000 0.0000 66.2454 30.7492 178.4423 85 A 4.0302 8.2701 119.8969 55.1701 18.3074 178.9385 86 H 4.1384 8.2158 116.4002 59.3220 29.7766 177.4821 87 V 3.3728 7.7491 119.3148 65.8540 31.7259 177.3948 88 E 4.0078 8.3782 119.1271 59.3434 29.6351 178.4429 89 F 4.1236 8.5266 120.4906 61.3079 39.3630 176.8240 90 A 3.7386 8.1611 120.5178 55.3975 18.1204 179.7806 91 T 3.7235 7.6515 113.8425 66.6977 68.2773 176.8954 92 I 3.5482 7.2980 119.9178 64.2299 37.4914 177.8660 93 F 3.7471 7.3914 121.1352 61.2877 39.1830 177.0489 94 L 4.2026 8.2960 119.1162 57.8401 41.1965 179.7021 95 G 3.6088 7.7577 103.7480 46.7677 0.0000 174.7865 96 S 4.5289 8.1972 116.5842 57.6929 63.3750 173.3714 97 L 5.1413 7.0941 121.4634 52.3357 43.8485 176.2188 98 D 4.6262 8.2594 120.5735 55.5594 42.1387 176.3907 99 K 4.8612 7.1966 115.2349 55.9157 35.2640 174.6038 100 V 4.9049 8.5949 121.4614 59.9937 34.6571 174.2537 101 L 4.7483 9.4330 126.2605 53.3310 44.4417 175.0345 102 V 5.0263 8.5299 125.7911 61.3734 34.3020 174.6915 103 I 4.8096 8.7608 125.9716 59.8257 41.8901 173.8021 104 D 5.5708 8.8952 125.3155 52.8151 43.5507 174.6048 105 Y 4.9659 9.2486 121.1212 55.4999 42.3451 174.2030 106 K 4.5396 8.5895 119.5074 53.8509 33.8207 173.8752 107 P 4.3784 0.0000 0.0000 63.2896 31.1601 175.8090 108 T 4.5584 8.4815 120.1560 61.8659 70.0083 174.7640 109 S 4.8266 8.3760 119.2911 56.5873 65.7213 174.7158 110 V 4.0478 7.9900 122.5378 61.2683 29.6871 174.5412 111 S 4.6112 7.7613 118.0984 56.8556 66.2855 175.0499 112 L 4.2945 8.3174 119.1293 54.9410 41.6857 176.7376 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 10 P 0.00 4.60 0.00 2.07 2.11 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.93 0.00 11 V 8.21 3.57 2.20 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 0.94 0.00 0.00 0.95 0.00 0.00 12 K 9.24 4.62 0.00 0.93 1.49 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.70 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.11 7.81 13 H 9.54 5.39 0.00 3.30 3.49 0.00 5.72 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 9.21 5.01 2.17 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 0.98 0.00 0.00 1.09 0.00 0.00 15 L 9.20 5.31 0.00 1.92 1.91 0.99 1.05 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 16 L 8.91 5.33 0.00 1.04 1.25 0.63 0.64 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 17 A 8.41 5.19 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 18 S 8.03 5.04 0.00 3.90 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 19 F 8.77 4.80 0.00 3.01 2.92 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 20 K 9.32 5.03 0.00 1.79 2.05 0.00 1.58 0.00 0.00 1.88 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.56 1.30 7.81 21 D 8.54 4.54 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.88 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 0.00 0.00 0.00 23 V 7.19 3.56 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 0.60 0.00 0.00 1.05 0.00 0.00 24 S 8.37 4.46 0.00 4.20 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 25 P 0.00 4.19 0.00 2.17 2.14 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 26 E 8.04 4.00 0.00 2.02 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 2.39 2.41 0.00 27 K 8.09 3.84 0.00 1.78 1.83 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 28 I 7.53 2.99 1.70 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 0.43 0.00 0.00 29 E 8.03 3.85 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 2.48 0.00 30 E 8.12 3.96 0.00 2.04 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 2.36 0.00 31 L 8.60 4.23 0.00 1.71 1.65 0.65 1.01 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 32 I 8.04 3.97 1.61 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.82 -0.12 0.00 0.00 33 K 8.28 4.06 0.00 1.95 1.84 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.65 7.81 34 G 8.30 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 35 Y 7.99 3.99 0.00 3.15 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 36 A 7.51 2.58 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 37 N 7.47 4.35 0.00 2.80 2.72 0.00 0.00 7.08 6.71 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 38 L 7.80 4.13 0.00 1.79 1.83 1.29 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.20 3.47 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 0.80 0.00 0.00 0.83 0.00 0.00 40 N 7.84 4.45 0.00 2.80 2.82 0.00 0.00 6.93 7.85 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 41 L 7.70 4.36 0.00 1.58 1.69 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.35 4.34 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.60 1.12 0.00 0.00 43 E 9.26 4.04 0.00 1.94 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 2.33 2.41 0.00 44 P 0.00 4.55 0.00 2.66 2.24 0.00 3.86 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 *46 K 7.46 4.32 0.00 1.77 1.81 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.34 7.81 47 A 7.68 4.85 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 48 F 8.38 5.11 0.00 2.80 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 49 H 9.08 5.17 0.00 2.93 3.01 0.00 5.87 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 7.72 5.22 0.00 3.49 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 51 G 8.60 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.60 4.86 0.00 1.88 1.72 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.44 7.81 53 D 8.98 4.59 0.00 2.74 2.54 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 54 V 8.10 4.46 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 0.81 0.00 0.00 0.90 0.00 0.00 55 S 9.29 4.41 0.00 3.93 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 56 I 7.94 4.58 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 1.42 0.94 0.92 0.00 0.00 57 E 8.30 4.09 0.00 1.96 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 2.30 2.29 0.00 58 N 8.09 4.10 0.00 2.80 2.82 0.00 0.00 6.82 7.78 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 59 L 7.56 4.75 0.00 1.69 1.58 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.98 4.34 0.00 3.45 3.61 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.73 3.28 0.00 2.52 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 62 G 8.73 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 63 Y 7.55 4.14 0.00 3.20 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 64 T 9.02 4.58 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 1.28 0.00 0.00 65 H 8.30 5.13 0.00 3.21 2.91 0.00 5.79 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 8.18 4.59 1.80 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 1.15 1.30 0.85 0.00 0.00 67 F 9.48 5.21 0.00 3.07 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 68 E 9.26 5.02 0.00 1.92 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 69 S 9.37 5.17 0.00 3.94 3.51 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 70 T 8.46 4.77 4.13 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 0.00 0.00 1.15 0.00 0.00 71 F 9.13 4.60 0.00 3.04 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 72 E 8.93 4.17 0.00 2.00 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 2.27 2.29 0.00 73 S 7.59 4.72 0.00 3.95 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 74 K 8.59 3.92 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.51 7.81 75 E 7.81 4.00 0.00 2.30 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 0.00 2.33 2.37 0.00 76 A 7.69 4.04 1.50 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 0.00 0.00 77 V 7.49 2.35 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 0.77 0.00 0.00 0.18 0.00 0.00 78 A 7.52 3.91 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 79 E 8.61 4.05 0.00 2.23 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 0.00 2.37 2.39 0.00 80 Y 8.21 4.31 0.00 3.29 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 81 I 7.52 3.18 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.88 0.87 0.00 0.00 82 A 7.73 4.45 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 83 H 7.65 4.66 0.00 3.34 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.21 0.00 2.30 2.29 0.00 3.40 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 2.00 1.97 0.00 85 A 8.27 4.03 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 86 H 8.22 4.14 0.00 2.99 3.39 0.00 5.68 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 87 V 7.75 3.37 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 0.81 0.00 0.00 0.92 0.00 0.00 88 E 8.38 4.01 0.00 2.09 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 2.37 2.33 0.00 89 F 8.53 4.12 0.00 3.16 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 90 A 8.16 3.74 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 91 T 7.65 3.72 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 1.15 0.00 0.00 92 I 7.30 3.55 1.56 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 1.47 0.38 0.82 0.00 0.00 93 F 7.39 3.75 0.00 2.27 2.58 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 94 L 8.30 4.20 0.00 1.75 1.69 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.76 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.53 0.00 3.80 3.95 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 97 L 7.09 5.14 0.00 1.56 1.56 1.03 0.53 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 98 D 8.26 4.63 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 99 K 7.20 4.86 0.00 1.77 1.78 0.00 0.99 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.10 7.81 100 V 8.59 4.90 2.17 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 0.79 0.00 0.00 1.05 0.00 0.00 101 L 9.43 4.75 0.00 1.58 1.32 0.57 0.56 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 0.00 102 V 8.53 5.03 2.15 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 0.98 0.00 0.00 1.03 0.00 0.00 103 I 8.76 4.81 1.90 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 1.22 0.63 0.93 0.00 0.00 104 D 8.90 5.57 0.00 2.55 2.60 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 0.00 105 Y 9.25 4.97 0.00 3.03 2.92 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 0.00 106 K 8.59 4.54 0.00 1.66 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.43 7.81 107 P 0.00 4.38 0.00 1.99 2.11 0.00 3.52 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 108 T 8.48 4.56 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 1.24 0.00 0.00 109 S 8.38 4.83 0.00 3.94 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 0.00 110 V 7.99 4.05 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 0.85 0.00 0.00 0.93 0.00 0.00 111 S 7.76 4.61 0.00 3.96 3.80 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 0.00 112 L 8.32 4.29 0.00 1.64 1.59 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.