NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3040 8.1849 120.6338 55.1365 44.4124 177.2223 5 T 4.0764 7.8116 114.0330 63.1931 70.0069 171.3870 6 K 5.0281 8.5451 121.5089 54.8511 36.1496 176.0232 7 V 4.1673 7.7275 121.4954 61.0383 34.7337 174.3128 8 K 3.6791 8.6992 126.6412 57.7433 31.9053 175.3734 9 L 4.6248 8.9004 126.8511 55.8923 43.6409 175.5846 10 C 4.6985 7.4385 110.6339 58.1196 32.7950 172.0170 11 Q 4.7296 8.0968 118.5768 54.2367 29.6952 176.7599 12 L 3.6531 8.8293 125.9432 58.3568 42.0381 178.5805 13 D 4.4665 7.9301 112.7925 54.4797 38.9903 176.1208 14 D 4.5950 8.1936 119.8766 54.8985 41.8629 176.1724 15 L 4.4697 7.3974 119.5025 52.4686 44.0848 173.1945 *17 P 4.0420 0.0000 0.0000 64.2165 32.1110 177.9696 18 F 4.1628 8.4512 120.4974 57.9106 38.0846 174.9388 19 I 4.4389 7.4838 122.3390 59.2496 37.6756 175.7972 20 G 3.4378 9.1400 112.8471 45.7641 0.0000 172.0634 21 A 4.8466 8.3667 125.4545 49.9174 21.9146 175.5225 22 T 4.6086 8.4231 112.8293 61.5856 70.5375 174.2507 23 V 4.4243 8.4680 115.4615 60.3902 37.1686 173.2243 24 L 4.8350 8.2822 121.5091 53.4575 43.3516 177.2397 25 I 3.8951 7.9903 126.5513 60.0703 37.0298 174.6254 26 E 3.5656 8.8248 126.9591 57.4949 26.0521 175.6632 27 G 3.9431 7.8634 102.8972 45.8302 0.0000 171.0413 28 E 4.4378 7.4415 120.6031 54.2789 31.2049 175.2327 29 R 4.2728 8.3942 124.7838 56.1217 30.4571 175.4568 30 V 4.3975 8.3204 124.3161 60.9331 34.5282 174.6017 31 A 4.8796 9.0492 127.1123 50.0388 21.2880 175.4864 32 L 4.8086 8.8630 122.7046 55.2227 43.6423 176.6542 33 F 5.0356 9.3572 120.5893 56.0987 43.4905 172.8935 34 Y 5.0780 8.9165 124.9205 56.1852 40.8406 174.4823 35 I 3.7447 8.3084 129.9591 59.2608 37.6252 175.4467 36 P 3.4473 0.0000 0.0000 64.3498 31.4169 176.8970 37 D 4.8749 7.8085 114.2633 52.9259 40.6936 176.4768 38 S 4.5559 8.5021 114.8960 59.3901 65.3908 173.0044 39 G 3.6212 7.0299 106.2629 43.7684 0.0000 171.5625 40 V 4.7933 8.0181 120.5383 60.1819 33.2478 174.9332 41 Y 5.2062 9.1118 122.9595 56.0712 40.9197 174.5150 42 A 5.3883 8.8251 122.6801 50.4739 22.4735 175.4760 43 V 5.1095 8.8627 114.7600 59.0345 36.3865 175.2269 44 Q 4.5706 8.8731 121.5417 57.0960 28.4820 176.5385 45 D 4.5643 9.6052 122.9882 56.5000 42.6174 175.6615 46 W 4.6603 8.4436 129.1983 57.3111 31.5324 175.2578 47 D 4.4292 8.2806 128.5483 52.2326 40.4219 174.9906 48 P 3.9926 0.0000 0.0000 65.0037 31.5331 177.2090 49 I 4.2000 8.1272 118.7982 63.0868 38.2402 177.5573 50 G 3.4692 8.3014 107.5570 46.4226 0.0000 173.1641 51 K 2.9074 8.4123 118.2739 55.3824 29.1656 175.0808 52 A 3.3218 5.8000 118.7969 51.1482 21.9227 175.9018 53 Y 4.7931 8.3594 118.8120 58.5770 37.9481 177.4929 54 V 4.4645 8.3925 126.4192 60.6425 32.6938 175.0891 *56 S 4.1974 7.8512 118.4373 58.5946 65.1381 176.1795 57 R 4.4563 8.0650 118.8165 56.3501 30.4865 176.7233 58 G 4.4607 7.8568 105.7490 45.0722 0.0000 173.9457 59 I 3.9879 8.4785 124.3541 61.6976 38.0650 175.5709 60 V 4.5872 8.0989 119.7702 60.1315 34.0189 175.0330 61 G 3.9397 8.6185 109.1887 46.3741 0.0000 172.3825 62 D 5.2720 8.6001 119.3075 53.2082 41.9661 175.4922 63 I 4.4007 8.4043 117.7608 60.9113 41.0924 175.6360 64 N 4.7917 7.8364 118.9390 53.2182 39.1632 177.1062 65 G 4.0881 8.1109 105.2431 45.7721 0.0000 174.4018 66 E 4.2749 7.5464 125.8680 56.2360 29.9284 174.6937 *68 C 4.8269 8.3630 113.7346 59.5344 30.4650 173.0653 69 V 4.6955 8.4885 120.2338 59.8605 33.9080 174.3306 70 A 5.0141 8.6873 126.5967 50.6538 20.6241 176.3950 71 S 4.6046 8.9489 118.2064 57.5383 63.1525 173.3816 72 P 4.4119 0.0000 0.0000 64.3879 30.9088 176.6951 73 L 3.8796 6.7139 119.2301 55.0253 41.8076 176.1404 74 Y 4.8527 7.5349 114.4743 58.3166 39.0188 176.4942 75 K 4.1104 7.8695 115.7478 57.2940 30.9757 175.4164 76 Q 4.3134 7.7937 117.7188 56.3342 30.1049 174.6666 77 H 5.4193 8.5503 118.3622 54.3894 31.4108 173.8182 78 F 5.0862 8.8192 120.9869 55.4696 42.4119 174.4204 79 S 4.5120 9.2887 119.6279 57.3144 62.7157 174.9308 80 L 4.4903 8.3430 128.4922 55.8473 39.8636 177.8978 81 K 3.9860 7.5508 120.9441 57.6182 34.0103 176.6556 82 S 4.5626 8.0916 109.8628 57.1460 64.8351 174.6931 83 G 4.2033 9.1824 110.8298 46.4151 0.0000 173.3064 84 Q 4.2153 7.5010 120.5338 57.0039 30.2493 175.7417 85 C 4.3074 8.7799 125.9539 58.2101 32.3169 172.8423 86 L 4.3940 8.4575 128.8808 52.4803 38.6665 177.1705 87 E 5.6098 7.6347 132.2713 56.7762 29.6996 176.0241 88 D 4.9021 6.9758 117.9378 52.1768 43.0808 176.0100 89 E 4.0035 8.7090 126.2016 58.8686 29.9146 177.1576 90 A 4.2771 9.0312 119.9214 52.9142 19.0704 176.3082 91 H 5.2152 7.8918 113.8181 54.0495 31.9341 172.7252 92 C 5.4708 8.7165 121.6685 58.0235 34.6255 172.8195 93 L 4.6170 8.9329 125.8951 53.3043 43.3066 176.3228 94 K 4.1273 9.2564 125.2399 56.9320 33.4191 175.6005 95 T 5.4792 7.7989 114.3917 58.7460 71.9305 172.7723 96 W 4.7507 9.3538 123.3480 54.7695 31.5443 175.4119 97 R 4.3246 8.7708 124.9527 56.3193 30.9745 175.0442 98 V 5.0026 8.6075 125.6509 61.4148 34.1239 174.4557 99 T 4.7924 8.5447 117.6345 59.9155 72.0428 173.1206 100 V 4.6879 8.2710 121.3831 61.1915 34.5243 173.0078 101 D 4.7530 8.6086 124.3428 54.1172 40.7288 177.5363 102 D 4.3281 8.9569 127.9683 56.9007 41.2397 174.4904 103 N 5.0137 8.1721 111.1357 52.5750 40.4038 173.7629 104 Q 4.6344 8.0863 121.5523 55.4981 30.7247 174.0407 105 V 4.6679 8.4295 127.5859 61.6091 33.4433 174.3549 106 C 5.2420 8.6255 121.4524 57.4556 33.3957 172.2084 107 Y 5.2538 7.9157 117.7361 54.5583 40.8696 174.4848 108 L 5.1519 8.9062 119.2519 53.5168 43.2940 176.8190 109 A 4.3373 8.2744 122.5727 52.7182 19.1483 176.1980 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 L 8.18 4.30 0.00 1.66 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.81 4.08 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 6 K 8.55 5.03 0.00 1.53 1.59 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.36 7.81 7 V 7.73 4.17 1.14 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 0.81 0.00 0.00 0.69 0.00 0.00 8 K 8.70 3.68 0.00 1.63 1.74 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.63 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 9 L 8.90 4.62 0.00 1.67 1.75 0.97 1.21 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 10 C 7.44 4.70 0.00 2.91 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 11 Q 8.10 4.73 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 12 L 8.83 3.65 0.00 1.50 1.52 -0.05 0.74 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 13 D 7.93 4.47 0.00 2.77 2.70 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 0.00 0.00 0.00 14 D 8.19 4.59 0.00 2.64 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 15 L 7.40 4.47 0.00 1.45 1.57 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 *17 P 0.00 4.04 0.00 2.24 1.64 0.00 3.78 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 2.07 2.26 0.00 18 F 8.45 4.16 0.00 3.30 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 19 I 7.48 4.44 1.93 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 1.57 0.88 0.96 0.00 0.00 20 G 9.14 3.44 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 0.00 0.00 0.00 21 A 8.37 4.85 1.09 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 0.00 0.00 22 T 8.42 4.61 4.12 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 0.00 0.00 1.13 0.00 0.00 23 V 8.47 4.42 1.95 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 0.61 0.00 0.00 0.78 0.00 0.00 24 L 8.28 4.83 0.00 1.38 1.49 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.99 3.90 1.11 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.04 0.12 0.00 0.00 26 E 8.82 3.57 0.00 2.17 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 2.39 2.31 0.00 27 G 7.86 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 28 E 7.44 4.44 0.00 2.07 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 2.49 2.38 0.00 29 R 8.39 4.27 0.00 1.87 1.73 0.00 3.00 0.00 0.00 2.66 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.88 0.00 30 V 8.32 4.40 1.74 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 0.56 0.00 0.00 -0.38 0.00 0.00 31 A 9.05 4.88 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 32 L 8.86 4.81 0.00 1.43 1.53 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.36 5.04 0.00 3.21 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 34 Y 8.92 5.08 0.00 2.91 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 35 I 8.31 3.74 1.81 0.00 0.00 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 1.41 0.60 0.96 0.00 0.00 36 P 0.00 3.45 0.00 1.82 1.88 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.31 0.00 37 D 7.81 4.87 0.00 2.75 2.72 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 38 S 8.50 4.56 0.00 3.93 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 39 G 7.03 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.02 4.79 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 0.75 0.00 0.00 0.95 0.00 0.00 41 Y 9.11 5.21 0.00 3.05 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 42 A 8.83 5.39 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 43 V 8.86 5.11 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 0.98 0.00 0.00 1.25 0.00 0.00 44 Q 8.87 4.57 0.00 2.39 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.02 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 45 D 9.61 4.56 0.00 2.80 2.83 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 46 W 8.44 4.66 0.00 3.54 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 47 D 8.28 4.43 0.00 2.56 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 0.00 0.00 0.00 0.00 48 P 0.00 3.99 0.00 2.35 2.35 0.00 3.52 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 49 I 8.13 4.20 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 1.03 0.00 0.00 50 G 8.30 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.41 2.91 0.00 1.77 1.88 0.00 2.09 0.00 0.00 1.81 0.00 0.00 3.24 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.59 7.81 52 A 5.80 3.32 0.90 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 0.00 0.00 53 Y 8.36 4.79 0.00 3.12 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 54 V 8.39 4.46 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 0.56 0.00 0.00 0.88 0.00 0.00 *56 S 7.85 4.20 0.00 3.76 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 57 R 8.06 4.46 0.00 1.98 2.03 0.00 3.33 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 58 G 7.86 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 59 I 8.48 3.99 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.89 0.00 0.00 60 V 8.10 4.59 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 0.25 0.00 0.00 1.09 0.00 0.00 61 G 8.62 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 62 D 8.60 5.27 0.00 2.56 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 63 I 8.40 4.40 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.89 0.89 0.00 0.00 64 N 7.84 4.79 0.00 2.76 2.71 0.00 0.00 6.90 8.01 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 65 G 8.11 4.09 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 0.00 0.00 0.00 66 E 7.55 4.27 0.00 2.01 1.72 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 2.25 2.24 0.00 *68 C 8.36 4.83 0.00 2.94 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 69 V 8.49 4.70 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 0.77 0.00 0.00 0.93 0.00 0.00 70 A 8.69 5.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.95 4.60 0.00 4.11 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 72 P 0.00 4.41 0.00 2.19 2.16 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 73 L 6.71 3.88 0.00 1.32 0.74 0.67 0.52 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 74 Y 7.53 4.85 0.00 3.26 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 75 K 7.87 4.11 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.57 7.81 76 Q 7.79 4.31 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.37 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 77 H 8.55 5.42 0.00 3.16 3.15 0.00 5.57 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.82 5.09 0.00 3.00 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 79 S 9.29 4.51 0.00 3.87 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 80 L 8.34 4.49 0.00 1.87 1.76 0.75 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 81 K 7.55 3.99 0.00 1.40 1.64 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.22 1.11 7.81 82 S 8.09 4.56 0.00 3.97 3.90 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 83 G 9.18 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 84 Q 7.50 4.22 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 85 C 8.78 4.31 0.00 2.85 2.91 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 86 L 8.46 4.39 0.00 1.48 1.55 0.92 1.02 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 87 E 7.63 5.61 0.00 1.84 1.85 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 1.96 1.90 0.00 88 D 6.98 4.90 0.00 2.67 2.50 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 89 E 8.71 4.00 0.00 1.94 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 2.27 2.28 0.00 90 A 9.03 4.28 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 91 H 7.89 5.22 0.00 3.13 3.44 0.00 5.60 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 92 C 8.72 5.47 0.00 2.99 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 93 L 8.93 4.62 0.00 1.71 1.61 0.69 0.29 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 94 K 9.26 4.13 0.00 1.88 1.75 0.00 1.43 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.92 7.81 95 T 7.80 5.48 4.37 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 1.41 0.00 0.00 96 W 9.35 4.75 0.00 3.23 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 97 R 8.77 4.32 0.00 2.00 1.92 0.00 3.19 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 98 V 8.61 5.00 2.37 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 1.01 0.00 0.00 1.15 0.00 0.00 99 T 8.54 4.79 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 1.25 0.00 0.00 100 V 8.27 4.69 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 0.79 0.00 0.00 0.89 0.00 0.00 101 D 8.61 4.75 0.00 2.67 1.81 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 0.00 102 D 8.96 4.33 0.00 2.61 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 0.00 0.00 0.00 0.00 103 N 8.17 5.01 0.00 2.67 2.87 0.00 0.00 5.52 7.44 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 0.00 104 Q 8.09 4.63 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 105 V 8.43 4.67 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 0.90 0.00 0.00 0.83 0.00 0.00 106 C 8.63 5.24 0.00 2.92 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 0.00 107 Y 7.92 5.25 0.00 3.18 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 0.00 108 L 8.91 5.15 0.00 1.68 1.70 0.99 0.92 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 0.00 109 A 8.27 4.34 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 * Residues marked with a * may have inaccurate shift predictions.