NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2461 8.2531 123.5818 50.7010 18.8530 175.2131 4 G 3.8366 7.2249 109.6072 43.9246 0.0000 169.5597 5 S 4.5415 9.1598 123.8039 58.8943 64.2103 176.3363 6 A 4.0550 9.3087 125.9829 53.4605 18.6934 178.5380 7 G 4.0352 7.6072 110.0705 44.6010 0.0000 172.3521 8 L 4.9553 8.3569 125.9802 53.9164 44.5573 171.3175 9 P 4.1162 0.0000 0.0000 62.8000 31.8412 177.4673 10 R 3.9648 8.7345 122.7163 59.1039 29.9818 178.3328 11 R 3.8736 7.9475 118.5879 59.3137 30.3491 177.8582 12 I 3.8071 7.9010 118.9296 64.9021 37.1613 178.1908 13 I 3.7854 7.8841 120.1915 64.4026 36.8799 178.4776 14 K 4.0291 8.2084 120.6758 59.1180 31.8146 178.8165 15 E 4.0084 8.8303 118.7155 59.5774 29.6077 179.2515 16 T 4.3602 8.0513 116.2523 66.6603 68.7356 176.5116 17 Q 3.9688 8.2451 120.0726 59.3525 28.8502 180.3694 18 R 3.9699 8.3748 118.7384 60.0299 29.7053 178.6771 19 L 3.7224 8.9285 118.1169 58.1944 41.3568 179.3687 20 L 4.0260 8.6750 120.2243 58.7159 41.9537 178.9450 21 A 3.9822 7.6825 117.5405 53.8273 18.2690 176.6535 22 E 4.5551 8.0590 113.7549 53.5893 31.9445 174.2755 23 P 4.7483 0.0000 0.0000 60.2841 32.9915 175.3671 24 V 3.3400 7.8360 118.5136 61.3557 32.6472 174.3416 25 P 4.2192 0.0000 0.0000 64.0375 32.0662 176.8896 26 G 4.0672 7.9183 107.5037 45.6058 0.0000 173.3786 27 I 4.8683 7.4310 124.1244 59.2014 38.8931 175.4717 28 K 4.5932 8.8576 128.3796 54.2443 35.3812 174.4913 29 A 5.3169 7.8400 126.2909 51.9640 21.2533 175.8325 30 E 4.8861 9.5959 122.9671 53.8974 34.4978 173.5828 31 P 3.5396 0.0000 0.0000 62.2335 32.5460 175.2145 32 D 4.6616 8.8766 121.9553 53.9981 41.7313 176.8541 33 E 4.2414 9.0315 123.6342 57.9462 30.0419 177.4253 34 S 4.5264 9.5140 113.5487 57.9240 64.4299 173.5504 35 N 4.7264 8.2287 119.5211 52.0308 39.7294 174.6605 36 A 4.0675 8.5431 129.2023 54.7213 18.9832 178.6708 37 R 4.3197 8.1757 114.4223 58.5183 31.5000 175.8215 38 Y 5.0224 8.2073 121.5414 56.3658 40.8827 174.2443 39 F 5.0093 9.0531 125.6132 55.9686 42.4074 174.1204 40 H 4.6436 9.6346 122.7429 55.1528 29.4463 174.3164 41 V 4.9708 8.5341 124.1460 60.8763 34.2947 174.2361 42 V 4.8632 8.2667 127.8301 61.4185 33.6144 174.3444 43 I 4.6308 8.7901 129.5149 59.5452 38.3900 175.0242 44 A 4.1594 8.6424 130.1040 52.3409 18.6354 177.4551 45 G 4.1611 9.0044 110.5472 45.4215 0.0000 171.8164 46 P 4.6104 0.0000 0.0000 61.9539 32.3415 176.3290 47 Q 4.1074 9.0331 118.8227 57.3291 29.6847 178.4106 48 D 4.5101 7.6868 121.1003 55.1593 37.3518 175.2209 49 S 4.9730 7.6027 113.4256 56.5540 66.5400 174.6886 50 P 4.0489 0.0000 0.0000 65.3255 31.3497 176.8895 51 F 5.0510 9.3082 116.6671 58.6865 39.1155 178.4146 52 E 3.8168 8.8479 121.2031 59.4959 31.6912 180.3125 53 G 3.8942 7.1685 103.4093 44.9565 0.0000 177.4956 54 G 4.3746 8.9166 121.2784 44.7082 0.0000 170.3960 55 T 5.1107 8.3126 110.3593 59.9785 71.9007 174.0825 56 F 4.6895 8.8585 123.8760 55.2011 41.1974 174.3385 57 K 4.3737 8.8298 124.0610 57.1705 33.2334 176.0984 58 L 5.4145 9.3746 125.4122 53.7237 43.9518 175.1695 59 E 4.7663 9.4177 116.8185 54.6056 32.3123 174.1442 60 L 4.8109 8.3010 126.9785 52.8864 45.0110 174.5304 61 F 5.3989 8.7229 128.5238 56.5150 41.8169 174.7159 62 L 3.6246 8.5202 127.0806 52.9567 41.1373 175.1895 63 P 3.6491 0.0000 0.0000 61.1704 32.4918 176.6410 64 E 4.0554 8.5784 116.5121 59.5473 29.6471 177.7352 65 E 4.3751 8.0128 118.4839 56.6455 29.8671 175.2461 66 Y 5.0005 7.7770 118.4799 55.6749 40.7646 172.9174 67 P 4.7452 0.0000 0.0000 62.4032 31.1152 177.2886 68 M 4.1334 8.4339 117.8052 56.6137 31.9726 176.3965 69 A 4.2693 8.1623 118.2357 51.0531 21.6431 175.6774 70 A 2.0000 8.2977 126.1961 51.5276 18.7277 175.2961 71 P 4.0185 0.0000 0.0000 62.6934 32.4043 176.2144 72 K 4.1672 8.3643 122.2730 56.3137 33.0278 176.4711 73 V 4.9257 8.2301 118.2893 59.4684 34.6440 175.2173 74 R 4.8199 9.8228 120.0438 54.2474 33.4472 174.2682 75 F 4.4683 9.2878 120.3761 58.7076 39.4327 174.2288 76 M 4.5315 9.4824 122.0712 57.2346 33.8428 176.1762 77 T 3.8546 8.7098 121.8560 64.4662 68.3266 173.2714 78 K 4.4862 7.6293 125.4871 54.6224 33.0083 174.8554 79 I 4.9481 8.0565 125.1909 59.6566 41.0770 173.9982 80 Y 3.7921 8.4856 126.9093 56.6402 37.3694 173.9138 81 H 4.0811 7.5008 125.0054 54.3154 32.6608 172.1016 82 P 4.2475 0.0000 0.0000 63.1680 32.2024 175.5520 83 N 4.7655 7.4686 116.9943 52.9210 38.5120 174.4170 84 V 4.6366 7.2904 116.0542 61.8280 34.4451 172.8819 85 D 4.7721 9.1586 124.7885 52.5787 41.1847 179.1723 86 K 4.7486 7.1983 118.4381 58.5765 32.4985 176.4548 87 L 4.4663 8.0059 114.0736 53.8355 42.7716 177.2088 88 G 4.2439 8.5764 107.2554 46.0088 0.0000 173.8096 89 R 4.2197 8.8252 120.1143 56.4384 30.5231 175.8707 90 I 4.6536 8.1425 122.9127 59.6980 39.1934 174.3999 91 C 4.6335 7.8000 122.4546 56.9964 33.3678 173.5346 92 L 4.8674 8.6143 126.9927 55.3161 43.6323 174.7972 93 D 4.2041 7.3678 122.5330 55.5950 40.7786 179.1954 94 I 4.6340 7.7138 114.7338 62.7482 37.5482 176.9756 95 L 4.1033 7.6895 118.7546 56.3024 42.1275 178.5338 96 K 4.1016 8.3095 118.7258 58.6865 31.9366 177.9606 97 D 5.5497 7.6883 128.3284 54.1055 40.3306 177.2430 98 K 4.3222 7.4495 123.0162 55.4413 31.0350 175.9141 99 W 5.2573 7.6888 128.0826 55.5886 32.9029 174.6334 100 S 4.3073 7.4558 119.0802 55.6709 64.1878 172.3551 101 P 4.3754 0.0000 0.0000 63.0348 30.8118 176.6189 102 A 4.4630 7.2341 120.3876 51.4164 20.4709 177.3367 103 L 4.0038 6.6476 115.3058 54.5231 42.1694 176.1010 104 Q 5.0085 8.6242 118.5806 54.5293 31.4381 176.3348 105 I 3.3700 7.9862 117.0008 64.5977 37.8367 177.9014 106 R 4.0847 7.8722 118.7646 60.1222 30.3194 179.0177 107 T 3.8999 8.3855 114.7947 66.9278 68.2527 176.3748 108 V 3.8933 9.5924 121.0194 65.8896 31.4642 179.3573 109 L 3.7247 6.8363 117.2052 56.8843 42.0568 179.1809 110 L 4.1767 7.8291 118.8032 58.0362 41.5502 179.9916 111 S 4.1751 8.9485 115.2422 61.4643 62.8906 175.7336 112 I 3.8757 8.5765 124.3738 65.0283 36.6773 178.0001 113 Q 4.0170 9.0491 119.1534 58.9415 28.4129 177.7751 114 A 4.0173 8.7055 124.4305 54.4862 18.1953 179.5846 115 L 3.7128 9.0649 119.6240 57.4609 42.9841 179.4145 116 L 2.8851 8.2261 110.7988 57.4280 41.5751 178.7761 117 S 4.3549 5.8100 115.3483 59.8267 63.8599 175.7503 118 A 4.6938 7.8848 123.8216 50.3172 18.3586 176.0739 119 P 4.2142 0.0000 0.0000 59.4976 30.4060 174.3038 120 N 4.2179 7.8905 123.4067 53.7945 38.4405 172.3640 121 P 4.3487 0.0000 0.0000 63.2527 32.3024 177.7752 122 D 4.2821 8.7467 120.0850 58.8373 40.2748 182.1457 123 D 3.5433 7.0073 112.8847 54.3488 42.9529 175.7910 124 P 4.5537 0.0000 0.0000 61.3356 34.0045 174.9424 *127 N 4.4878 8.3995 116.0728 53.1616 37.3954 173.9587 128 D 4.5774 8.5304 123.5530 55.1158 39.4007 178.5314 129 V 3.1070 8.0103 119.6846 65.6521 31.3414 177.2459 130 A 4.5564 7.8730 120.7830 53.6760 20.2832 177.6871 131 E 4.1018 8.7777 111.0548 56.4616 29.3469 180.0946 132 Q 2.6637 9.2388 111.6434 57.7304 29.7474 174.8907 133 W 3.6665 7.0268 128.6016 58.3881 30.4352 179.1876 134 K 3.8318 8.0852 113.8563 57.5045 33.7323 177.0977 135 T 4.1307 5.7900 118.0275 65.9329 70.5524 173.4052 136 N 4.9331 7.9454 118.5002 51.6329 39.9754 174.0725 137 E 3.6332 8.2879 122.0826 58.6942 30.4764 179.2782 138 A 3.9542 8.1318 121.3791 55.3403 17.9653 178.6925 139 Q 3.7287 7.2462 112.7344 55.2174 28.5856 182.7140 140 A 3.0627 6.8971 118.1719 53.9315 21.9185 179.2358 141 I 3.6644 7.0120 120.2423 63.7400 39.5080 178.3047 142 E 3.8169 8.4176 115.5017 58.8609 28.3778 182.7113 143 T 3.0456 8.6771 121.9271 66.3509 70.6542 174.5270 144 A 4.0474 8.0181 125.9131 55.3662 18.3586 179.8046 145 R 3.8791 9.4511 115.4845 58.0907 30.3243 178.2983 146 A 3.7266 9.0361 116.8280 54.8999 17.9575 182.5785 147 W 3.6900 6.7484 116.6209 56.5902 32.4818 178.9135 148 T 4.0782 9.0966 116.0331 67.2480 67.8695 175.8083 149 R 3.9697 10.6400 119.2891 58.2461 30.0525 179.3265 150 L 3.5733 6.7378 121.3897 57.8952 43.0926 177.7976 151 Y 4.7271 8.0998 111.9810 57.5307 40.6465 176.0645 152 A 4.3704 8.0683 120.2925 51.7889 19.6809 175.6702 153 M 4.7137 7.4196 116.2751 55.0289 34.3116 178.1962 154 N 3.8958 7.8118 119.1020 54.5935 35.4098 174.3791 155 N 4.6594 7.6870 126.1629 51.5260 36.6897 176.3086 156 I 3.8505 7.6892 124.5372 62.7274 37.1751 176.1811 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 3 A 8.25 4.25 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 4 G 7.22 3.84 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 0.00 0.00 0.00 5 S 9.16 4.54 0.00 3.86 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 6 A 9.31 4.05 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 7 G 7.61 4.04 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 0.00 0.00 0.00 8 L 8.36 4.96 0.00 1.68 1.63 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.12 0.00 2.27 2.03 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 10 R 8.73 3.96 0.00 1.85 1.94 0.00 3.35 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 11 R 7.95 3.87 0.00 1.90 1.90 0.00 3.19 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 12 I 7.90 3.81 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.08 1.03 0.00 0.00 13 I 7.88 3.79 2.02 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 1.45 0.84 0.94 0.00 0.00 14 K 8.21 4.03 0.00 2.08 1.98 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 15 E 8.83 4.01 0.00 2.21 2.22 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 2.36 2.43 0.00 16 T 8.05 4.36 4.34 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 1.39 0.00 0.00 17 Q 8.25 3.97 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 18 R 8.37 3.97 0.00 1.95 1.98 0.00 3.17 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 19 L 8.93 3.72 0.00 1.83 1.75 0.89 0.62 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 20 L 8.67 4.03 0.00 1.58 1.78 1.06 0.85 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 21 A 7.68 3.98 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 22 E 8.06 4.56 0.00 2.06 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 2.20 2.25 0.00 23 P 0.00 4.75 0.00 2.08 2.07 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.30 0.00 24 V 7.84 3.34 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 0.79 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.22 0.00 2.23 1.96 0.00 3.66 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 2.09 0.00 26 G 7.92 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 27 I 7.43 4.87 1.88 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 1.13 1.06 0.92 0.00 0.00 28 K 8.86 4.59 0.00 1.87 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 29 A 7.84 5.32 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 30 E 9.60 4.89 0.00 1.75 1.77 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 2.26 2.30 0.00 31 P 0.00 3.54 0.00 1.81 1.55 0.00 3.67 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.83 0.00 32 D 8.88 4.66 0.00 2.73 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 33 E 9.03 4.24 0.00 2.07 2.04 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 2.26 2.34 0.00 34 S 9.51 4.53 0.00 3.83 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 35 N 8.23 4.73 0.00 2.66 2.64 0.00 0.00 7.11 8.88 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 36 A 8.54 4.07 1.30 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 0.00 0.00 0.00 37 R 8.18 4.32 0.00 1.98 2.18 0.00 3.19 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 38 Y 8.21 5.02 0.00 3.15 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 39 F 9.05 5.01 0.00 2.89 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 40 H 9.63 4.64 0.00 3.09 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.53 4.97 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 0.90 0.00 0.00 0.96 0.00 0.00 42 V 8.27 4.86 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 1.05 0.00 0.00 1.00 0.00 0.00 43 I 8.79 4.63 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 0.94 0.00 0.00 44 A 8.64 4.16 1.35 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 0.00 0.00 0.00 45 G 9.00 4.16 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 0.00 46 P 0.00 4.61 0.00 2.07 2.00 0.00 3.45 0.00 0.00 3.36 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 47 Q 9.03 4.11 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.64 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 48 D 7.69 4.51 0.00 2.84 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 49 S 7.60 4.97 0.00 4.20 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 50 P 0.00 4.05 0.00 0.78 2.08 0.00 4.02 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 51 F 9.31 5.05 0.00 3.20 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 52 E 8.85 3.82 0.00 2.02 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 2.35 2.50 0.00 53 G 7.17 3.89 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 0.00 0.00 0.00 54 G 8.92 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 0.00 0.00 0.00 0.00 55 T 8.31 5.11 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 1.27 0.00 0.00 56 F 8.86 4.69 0.00 3.12 3.46 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 57 K 8.83 4.37 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.53 7.81 58 L 9.37 5.41 0.00 1.52 1.32 -0.08 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.42 4.77 0.00 1.91 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 2.27 2.17 0.00 60 L 8.30 4.81 0.00 1.56 1.40 0.64 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.72 5.40 0.00 2.95 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 62 L 8.52 3.62 0.00 1.31 1.21 0.71 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 3.65 0.00 2.06 1.96 0.00 3.29 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 64 E 8.58 4.06 0.00 2.11 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 0.00 2.29 2.35 0.00 65 E 8.01 4.38 0.00 2.14 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 2.41 2.37 0.00 66 Y 7.78 5.00 0.00 2.87 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 67 P 0.00 4.75 0.00 1.94 1.74 0.00 3.51 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 1.54 0.44 0.00 68 M 8.43 4.13 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 69 A 8.16 4.27 1.30 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 0.00 0.00 0.00 70 A 8.30 2.00 0.43 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 71 P 0.00 4.02 0.00 1.53 1.56 0.00 2.54 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 72 K 8.36 4.17 0.00 1.91 1.76 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.36 7.81 73 V 8.23 4.93 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 0.53 0.00 0.00 0.74 0.00 0.00 74 R 9.82 4.82 0.00 2.02 1.93 0.00 2.79 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 75 F 9.29 4.47 0.00 3.24 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 76 M 9.48 4.53 0.00 1.99 2.18 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 77 T 8.71 3.85 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 1.23 0.00 0.00 78 K 7.63 4.49 0.00 1.44 0.97 0.00 1.71 0.00 0.00 1.33 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 1.70 7.81 79 I 8.06 4.95 1.59 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.42 0.00 0.00 80 Y 8.49 3.79 0.00 1.43 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.50 4.08 0.00 2.97 2.75 0.00 5.73 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.25 0.00 1.94 2.19 0.00 3.09 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.44 0.00 83 N 7.47 4.77 0.00 2.67 2.74 0.00 0.00 6.32 7.56 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 84 V 7.29 4.64 1.90 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 0.67 0.00 0.00 0.82 0.00 0.00 85 D 9.16 4.77 0.00 3.01 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 86 K 7.20 4.75 0.00 1.86 2.06 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.49 1.51 7.81 87 L 8.01 4.47 0.00 1.65 1.71 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.58 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 0.00 0.00 0.00 0.00 89 R 8.83 4.22 0.00 2.21 1.89 0.00 3.11 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 90 I 8.14 4.65 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.82 0.87 0.00 0.00 91 C 7.80 4.63 0.00 2.94 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 92 L 8.61 4.87 0.00 1.71 1.65 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.37 4.20 0.00 2.86 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 94 I 7.71 4.63 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.96 0.00 0.00 95 L 7.69 4.10 0.00 1.58 1.62 0.81 0.74 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 96 K 8.31 4.10 0.00 1.99 1.88 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.37 7.81 97 D 7.69 5.55 0.00 2.88 2.93 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 98 K 7.45 4.32 0.00 1.76 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.38 7.81 99 W 7.69 5.26 0.00 3.28 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 0.00 100 S 7.46 4.31 0.00 3.58 3.27 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 0.00 101 P 0.00 4.38 0.00 1.91 2.06 0.00 3.40 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.95 0.00 102 A 7.23 4.46 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 0.00 103 L 6.65 4.00 0.00 0.47 1.49 0.68 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 104 Q 8.62 5.01 0.00 2.70 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 105 I 7.99 3.37 1.92 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.19 0.65 0.00 0.00 106 R 7.87 4.08 0.00 1.82 1.95 0.00 3.10 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 107 T 8.39 3.90 4.31 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 1.22 0.00 0.00 108 V 9.59 3.89 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 0.91 0.00 0.00 1.00 0.00 0.00 109 L 6.84 3.72 0.00 1.71 1.58 0.87 0.46 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 0.00 110 L 7.83 4.18 0.00 1.90 1.69 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 111 S 8.95 4.18 0.00 3.92 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 0.00 112 I 8.58 3.88 1.81 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.75 0.00 0.00 113 Q 9.05 4.02 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 114 A 8.71 4.02 1.34 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 0.00 0.00 115 L 9.06 3.71 0.00 1.46 1.56 0.85 0.96 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 0.00 116 L 8.23 2.89 0.00 1.76 1.06 0.31 0.05 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 0.00 117 S 5.81 4.35 0.00 4.01 4.01 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 0.00 118 A 7.88 4.69 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 0.00 119 P 0.00 4.21 0.00 0.81 1.32 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.90 0.00 120 N 7.89 4.22 0.00 2.62 2.77 0.00 0.00 7.33 7.69 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 0.00 121 P 0.00 4.35 0.00 2.29 2.27 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 122 D 8.75 4.28 0.00 2.72 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 0.00 123 D 7.01 3.54 0.00 2.72 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 0.00 124 P 0.00 4.55 0.00 2.04 2.02 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 *127 N 8.40 4.49 0.00 2.85 2.92 0.00 0.00 5.96 8.06 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 0.00 128 D 8.53 4.58 0.00 2.95 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 0.00 129 V 8.01 3.11 2.04 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 0.51 0.00 0.00 0.93 0.00 0.00 130 A 7.87 4.56 1.51 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 0.00 0.00 131 E 8.78 4.10 0.00 2.00 1.12 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 2.35 2.36 0.00 132 Q 9.24 2.66 0.00 2.29 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.65 6.61 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 133 W 7.03 3.67 0.00 3.92 3.02 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 0.00 0.00 0.00 134 K 8.09 3.83 0.00 1.94 1.69 0.00 1.92 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.71 7.81 135 T 5.79 4.13 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 1.21 0.00 0.00 136 N 7.95 4.93 0.00 2.67 2.57 0.00 0.00 7.13 7.69 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 0.00 137 E 8.29 3.63 0.00 1.94 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 2.51 2.22 0.00 138 A 8.13 3.95 1.24 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 0.00 0.00 139 Q 7.25 3.73 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 140 A 6.90 3.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.01 3.66 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.88 0.00 0.00 142 E 8.42 3.82 0.00 2.10 1.47 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 2.28 2.35 0.00 143 T 8.68 3.05 4.03 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 0.09 0.00 0.00 144 A 8.02 4.05 1.47 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 0.00 145 R 9.45 3.88 0.00 1.93 2.07 0.00 3.31 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 146 A 9.04 3.73 1.34 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 0.00 0.00 147 W 6.75 3.69 0.00 4.06 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 0.00 148 T 9.10 4.08 4.64 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 1.40 0.00 0.00 149 R 10.64 3.97 0.00 1.75 1.88 0.00 3.19 0.00 0.00 3.16 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 150 L 6.74 3.57 0.00 0.98 0.23 0.29 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.10 4.73 0.00 3.19 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 0.00 152 A 8.07 4.37 0.69 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 0.00 0.00 153 M 7.42 4.71 0.00 1.98 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.50 0.00 154 N 7.81 3.90 0.00 2.89 3.10 0.00 0.00 6.25 8.04 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 0.00 155 N 7.69 4.66 0.00 2.87 2.91 0.00 0.00 6.34 7.81 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 0.00 156 I 7.69 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.