NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -10 G 3.9298 8.3393 109.7371 46.0566 0.0000 173.9501 -9 T 4.3563 7.6791 110.3274 61.0750 68.9245 173.2904 -8 E 4.5106 8.1444 125.2373 59.3652 29.8732 179.6938 -7 N 4.6980 8.0291 117.9405 56.3296 39.1187 176.8287 -6 L 4.0378 7.9405 119.9414 57.8643 41.8322 178.6690 -5 Y 4.4920 8.3758 121.1334 60.0622 38.7925 177.8399 -4 F 3.6980 8.5861 121.6678 61.4426 39.3671 177.0510 -3 Q 4.1796 8.1698 117.7259 58.6467 28.5646 178.9414 -2 S 4.1995 8.0180 115.2831 61.0347 62.9361 175.5926 -1 N 4.5023 7.4105 116.1581 53.0957 39.8713 176.5129 0 A 4.4532 6.9168 123.8249 50.3516 16.5592 176.8848 -8 K 4.4806 8.0144 125.4373 58.9652 33.0732 179.6938 -7 D 4.5980 7.9691 119.6405 57.4296 41.3187 177.9287 -6 T 4.0478 7.9305 111.7414 64.5643 69.2322 175.7690 -5 F 4.5620 8.5558 121.1334 59.8622 40.5925 177.7399 -4 R 3.4180 8.5161 121.8678 59.7426 30.6671 177.5510 -3 L 4.1796 8.0098 119.7259 58.0467 41.5646 180.5414 -2 E 4.0795 8.1280 119.7831 59.3347 29.0361 177.5926 -1 N 4.5023 7.4105 116.1581 53.0957 39.8713 176.5129 0 Q 4.4732 6.9968 119.8249 53.5516 26.8592 175.0848 11 T 4.4765 7.6442 114.5328 62.5108 69.9434 174.1268 12 I 4.5605 8.2865 127.0585 60.1908 39.2220 174.1750 13 Y 5.1424 8.6911 123.8576 56.1737 40.2226 174.8581 14 F 5.1463 9.3294 125.7413 56.3934 42.8774 173.8577 15 G 4.0546 7.6311 110.8691 44.8538 0.0000 171.0428 16 T 4.7110 8.3966 116.4849 60.9150 71.6643 171.7384 17 E 5.1760 8.4280 121.2044 54.5660 33.8108 175.6343 18 R 4.5452 9.0868 121.1154 54.2637 33.7101 174.4496 19 A 4.7084 8.6530 126.4809 51.4273 19.4194 176.3752 20 I 4.6385 8.7214 124.1573 59.0881 40.3345 177.0198 21 S 4.5225 9.0111 124.9030 56.5544 61.7095 172.3470 22 A 4.6945 7.0794 123.6246 50.1730 22.9373 176.7770 23 S 4.4241 8.4162 114.3701 57.6130 65.1984 173.5222 24 P 4.3167 0.0000 0.0000 65.9928 30.8092 179.0325 25 Q 4.0482 7.9884 115.7021 59.1352 28.9416 178.4967 26 T 4.1676 8.0325 116.7930 66.9003 68.6083 176.9730 27 I 3.9050 8.0182 121.7227 64.0465 37.0862 178.1635 28 W 4.3607 8.7522 129.6936 60.7316 30.4956 178.2369 29 R 4.0438 8.0775 118.8916 58.6065 29.1365 178.0114 30 Y 4.2679 8.3548 115.4119 59.4113 37.7609 176.7642 31 L 4.8691 7.6470 118.9473 54.8533 42.2606 176.7339 32 T 4.6954 7.4613 106.7097 60.1996 70.1276 172.9639 33 E 4.8531 7.7178 121.8507 54.2882 33.4921 176.2457 34 T 3.7625 8.4645 120.6879 66.9013 68.4268 176.4588 35 D 4.2890 7.9032 119.1233 56.7582 41.1491 178.2740 36 K 4.4439 7.7003 119.9699 58.0377 32.3247 178.5977 37 L 4.2281 8.1120 122.3979 57.6029 40.8880 179.1968 38 K 4.0333 8.2477 117.8940 58.8054 31.6650 179.2095 39 Q 4.3169 8.2968 119.0084 57.5805 28.3632 177.5898 40 W 4.7931 7.5539 111.7461 56.2608 30.3220 175.6975 41 F 4.5477 7.6772 121.1631 55.2227 38.9664 172.5372 42 P 4.3042 0.0000 0.0000 64.8220 31.6791 177.6351 43 E 3.9191 8.2640 116.3636 57.5498 29.8536 175.9899 44 L 4.8937 7.2552 119.2060 53.5022 43.0423 175.8554 45 E 4.5881 8.6824 118.9753 54.3970 33.6732 174.4777 46 I 3.7832 8.2976 122.4030 61.7876 37.1843 175.7850 47 G 2.6434 8.7543 115.8333 46.8639 0.0000 173.1972 48 E 4.6707 6.2669 116.2998 54.0800 35.0021 174.5901 49 L 4.6089 8.3800 121.8773 53.5784 43.9609 175.9689 50 G 3.4549 6.8595 105.5165 44.3119 0.0000 174.4655 51 V 3.7989 7.9969 116.7974 63.8031 31.4491 176.5795 52 N 4.9206 7.9811 117.1256 52.8963 39.0887 174.7753 53 G 3.7846 7.9798 108.0536 46.1482 0.0000 172.8717 54 F 4.3940 7.4372 111.8553 55.7405 41.3703 173.6852 55 W 5.5214 8.6931 120.1238 55.8606 31.9196 175.0974 56 R 5.1877 9.1475 119.9449 54.5520 33.5572 174.5490 57 F 5.1695 9.4421 125.1791 56.5974 41.6323 174.2515 58 I 4.8710 8.0543 126.8789 59.5280 39.7973 174.9204 59 L 4.8241 9.2271 125.6990 51.9235 45.7001 175.8263 60 P 4.2282 0.0000 0.0000 65.4428 31.2276 177.4712 61 D 4.8794 7.7864 114.5124 53.4225 41.4057 175.6590 62 F 4.6622 7.6540 119.0788 57.3700 42.9855 172.4672 63 E 5.0913 7.9700 126.4083 54.6434 33.2742 174.5340 64 E 4.5273 9.0350 123.1876 55.1777 33.6051 174.8860 65 T 4.8455 7.9524 115.9571 59.6894 72.0026 171.6495 *67 P 4.4416 0.0000 0.0000 62.6904 33.2555 176.2051 68 F 5.1848 9.0212 123.3082 58.2926 38.9546 175.4934 69 T 4.6107 9.1180 113.0979 62.3785 70.0805 173.9908 70 D 4.9404 8.0937 120.3536 53.8965 44.9539 173.6331 71 Y 5.0249 8.6585 124.5158 56.8027 41.7994 173.6982 72 A 4.1455 8.2578 129.0246 49.5176 22.0567 174.6879 73 E 2.7164 8.4225 122.3881 58.0886 29.7246 176.5530 74 E 2.9241 5.9000 122.9604 56.7004 27.1903 174.1311 75 K 4.4358 6.7267 116.9862 57.2233 34.5704 175.6403 76 Y 5.3057 6.6316 115.5548 56.1100 41.7413 172.7913 77 L 4.8184 8.6830 122.4482 53.9342 45.9709 174.4564 78 G 4.6721 9.2122 114.1099 44.5044 0.0000 172.1318 79 V 5.1522 8.8989 123.2892 60.9040 35.2774 174.5269 80 T 4.5769 8.9664 122.7898 62.1396 68.2948 173.8360 81 W 5.1420 9.1962 135.0000 56.7604 33.8308 173.6657 82 D 3.9075 7.7691 127.9874 55.9540 39.6331 174.2843 83 T 4.4591 8.0462 107.3169 61.2016 69.9036 175.0067 84 G 4.9923 8.4164 111.5256 45.2372 0.0000 172.1463 85 I 5.4980 8.5411 121.8091 59.7266 42.0038 174.3672 86 I 4.4486 8.8635 119.2242 59.2666 40.7375 173.8874 87 Y 4.9191 7.5549 124.2826 56.1301 42.5303 173.4179 88 F 5.1183 8.9055 125.7295 55.6573 41.9399 173.9432 89 D 5.2174 9.1278 123.5109 52.4979 43.8309 174.6770 90 L 4.8040 9.0133 127.9535 53.7203 42.4363 176.4189 91 K 4.4906 8.7712 125.2820 54.2138 33.9255 176.1890 92 E 4.2847 8.8418 126.9655 56.3379 30.2597 176.0294 93 Q 4.3155 8.9235 125.0462 57.3353 30.3827 175.2006 94 A 4.5364 7.3353 118.0058 50.4098 22.0366 174.8633 95 P 4.3980 0.0000 0.0000 65.6413 31.3051 177.2117 96 H 5.0917 7.9918 113.5522 55.2394 30.2357 173.7054 97 Q 4.7472 8.4398 117.0212 54.6784 32.8911 174.4143 98 T 4.9991 9.0694 120.0671 61.5894 72.9470 172.8106 99 L 4.8199 8.9952 127.6310 53.4263 43.9654 175.0229 100 L 4.6960 8.9053 130.7619 54.3479 43.3884 175.3982 101 V 4.6243 8.9323 128.0388 61.4265 33.2495 173.9991 102 F 5.1017 8.9772 131.4245 56.5204 41.3718 174.5631 103 S 4.7428 8.0012 119.5693 56.7371 66.8993 172.3685 104 E 4.7865 9.0247 121.2233 54.8350 33.7277 173.4383 105 S 4.6866 9.0068 120.8696 56.6156 64.9114 172.7369 106 L 4.4272 8.6069 127.3539 51.8015 43.2104 174.6806 107 P 4.6855 0.0000 0.0000 61.7027 32.2304 177.5207 108 E 4.0242 8.6511 120.4663 59.0351 29.6123 177.1010 109 N 4.7449 8.1353 114.0496 52.4345 37.6931 174.6610 110 F 4.1386 8.1328 121.4648 59.4389 39.7955 175.5235 111 T 4.0297 8.7751 118.2529 64.3552 69.0301 175.2784 112 T 4.3929 7.3044 116.6514 61.4059 69.8877 173.4601 113 P 4.3745 0.0000 0.0000 63.1065 32.8081 178.0194 114 R 3.9278 8.7583 121.6231 59.5665 30.1024 178.9490 115 H 4.3014 8.2505 114.4913 58.4752 28.6006 177.7256 116 K 4.0656 7.6902 120.9664 59.0565 31.9467 178.6786 117 D 4.5058 8.1984 118.4331 57.4597 41.1853 178.2486 118 I 3.5082 7.9306 120.1697 64.2143 36.9726 178.1570 119 A 4.0912 8.0293 121.6177 55.1636 18.1890 179.8730 120 G 3.5935 8.3043 104.1703 47.8605 0.0000 175.9443 121 W 4.1502 8.2594 121.5926 59.5501 29.0299 178.7675 122 S 4.2516 8.5214 115.4309 61.6383 62.2711 176.9701 123 I 3.8574 7.9546 122.4442 64.7010 36.9211 179.0296 124 V 3.8104 8.0409 113.2361 64.1877 31.2953 178.7069 125 L 4.0478 8.5610 119.5028 57.6952 41.3994 179.1597 126 N 4.3091 8.2832 116.6138 56.3519 38.4601 177.3841 127 R 4.0016 8.2456 120.1298 59.1839 30.1740 178.1732 128 L 3.6652 8.3859 120.6611 57.9571 41.9634 178.8059 129 K 3.7470 7.8536 119.4076 59.5569 32.1173 178.4300 130 Q 3.9556 8.1670 119.6465 59.4539 28.4986 178.7373 131 V 3.8650 8.2028 113.7714 64.0826 31.2914 178.8880 132 V 3.3125 7.3154 117.5858 65.8428 31.4167 177.5903 133 E 4.3136 8.0329 117.3135 57.9407 30.9794 177.3676 134 T 4.6358 8.2575 108.8974 58.4040 68.6533 172.1215 135 P 4.4323 0.0000 0.0000 64.9409 31.8887 176.9364 136 D 4.9195 7.8334 115.4484 52.5998 39.7329 176.0125 137 A 4.0501 8.1483 122.4959 52.4383 18.9089 178.4357 138 A 4.1178 8.3220 124.5084 51.0935 19.1050 176.1484 139 P 4.5157 0.0000 0.0000 62.7798 31.7769 175.8874 140 E 4.0605 8.4948 119.7490 56.1239 29.7324 177.8704 141 K 4.2150 8.5190 126.3302 55.6068 30.6099 175.7858 142 I 4.1868 7.5546 117.0303 58.9758 39.7862 176.4762 143 D 4.6333 7.8724 121.5377 52.5922 40.1790 176.6516 144 F 4.0280 8.6912 123.9031 59.9908 39.1214 175.0601 145 P 4.4291 0.0000 0.0000 65.6774 31.0675 178.4989 146 Q 3.8976 8.0991 118.3255 59.2163 29.0094 178.2817 147 I 3.4747 7.5572 120.8288 64.3620 37.0053 178.2715 148 E 4.1823 8.8165 119.8154 59.5027 29.2551 178.9511 149 N 4.2815 8.4880 117.2779 56.7888 39.0005 176.2036 150 H 3.9692 8.2732 119.6810 59.7660 29.8747 176.8703 151 Y 4.1067 7.9832 118.1882 60.4772 37.5780 177.7947 152 L 3.8123 8.2628 121.8881 58.3342 42.1472 179.0209 153 E 3.8864 8.2741 118.4478 59.1093 29.1006 179.4625 154 K 3.6595 7.4871 117.7613 59.4296 32.3234 179.1122 155 L 4.0574 7.8851 119.1901 57.9416 41.6576 179.6382 156 T 4.1151 8.0143 117.3033 66.0417 68.1296 176.1501 157 N 4.3739 7.9094 117.9503 56.2346 38.9750 176.5529 158 L 4.1532 7.6118 119.5569 56.2527 41.9741 177.4635 159 E 4.0892 7.4654 118.4129 56.1669 30.1315 176.6464 160 N 4.4932 8.5994 118.8437 54.0046 39.0420 174.7581 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 G 8.34 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 0.00 0.00 0.00 -9 T 7.68 4.36 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 1.22 0.00 0.00 -8 E 8.14 4.51 0.00 2.10 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 2.50 2.57 0.00 -7 N 8.03 4.70 0.00 2.85 2.84 0.00 0.00 7.70 6.66 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 -6 L 7.94 4.04 0.00 1.80 1.76 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 -5 Y 8.38 4.49 0.00 3.07 3.17 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 0.00 0.00 0.00 0.00 -4 F 8.59 3.70 0.00 3.39 3.29 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 -3 Q 8.17 4.18 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.81 2.47 0.00 -2 S 8.02 4.20 0.00 3.81 3.83 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 -1 N 7.41 4.50 0.00 2.22 2.58 0.00 0.00 6.95 7.70 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 A 6.92 4.45 1.23 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 0.00 0.00 -8 K 8.01 4.48 0.00 1.88 1.87 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.70 7.81 -7 D 7.97 4.60 0.00 2.74 2.74 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 -6 T 7.93 4.05 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 -5 F 8.56 4.56 0.00 3.18 3.23 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 -4 R 8.52 3.42 0.00 2.11 2.01 0.00 2.21 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 -3 L 8.01 4.18 0.00 1.69 1.81 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 -2 E 8.13 4.08 0.00 1.98 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 2.34 2.34 0.00 -1 N 7.41 4.50 0.00 2.22 2.58 0.00 0.00 6.95 7.70 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 Q 7.00 4.47 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.15 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 11 T 7.64 4.48 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 0.62 0.00 0.00 12 I 8.29 4.56 1.77 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 1.26 0.56 1.01 0.00 0.00 13 Y 8.69 5.14 0.00 2.84 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 14 F 9.33 5.15 0.00 3.02 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 15 G 7.63 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 0.00 0.00 0.00 16 T 8.40 4.71 3.87 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 0.00 0.00 1.11 0.00 0.00 17 E 8.43 5.18 0.00 1.76 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 2.13 2.22 0.00 18 R 9.09 4.55 0.00 1.57 1.70 0.00 3.14 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 19 A 8.65 4.71 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 20 I 8.72 4.64 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.82 0.00 0.00 21 S 9.01 4.52 0.00 3.94 3.91 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 22 A 7.08 4.69 1.23 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 0.00 0.00 23 S 8.42 4.42 0.00 4.21 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 24 P 0.00 4.32 0.00 2.14 2.14 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 25 Q 7.99 4.05 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.71 0.00 26 T 8.03 4.17 4.50 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 1.39 0.00 0.00 27 I 8.02 3.91 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 0.90 0.00 0.00 28 W 8.75 4.36 0.00 3.46 3.31 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 0.00 29 R 8.08 4.04 0.00 1.93 1.95 0.00 3.24 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 30 Y 8.35 4.27 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 31 L 7.65 4.87 0.00 1.14 1.53 0.67 0.22 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 32 T 7.46 4.70 4.19 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 0.27 0.00 0.00 33 E 7.72 4.85 0.00 1.93 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 2.25 2.39 0.00 34 T 8.46 3.76 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 1.10 0.00 0.00 35 D 7.90 4.29 0.00 2.58 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 36 K 7.70 4.44 0.00 1.64 1.18 0.00 1.64 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 1.06 7.81 37 L 8.11 4.23 0.00 1.67 1.57 0.14 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.25 4.03 0.00 1.81 1.77 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.49 7.81 39 Q 8.30 4.32 0.00 2.58 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.47 2.67 0.00 40 W 7.55 4.79 0.00 3.61 3.18 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 41 F 7.68 4.55 0.00 1.73 1.80 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 42 P 0.00 4.30 0.00 2.06 2.08 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 43 E 8.26 3.92 0.00 1.92 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 2.14 2.18 0.00 44 L 7.26 4.89 0.00 0.90 0.85 -0.16 0.71 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 45 E 8.68 4.59 0.00 1.85 1.84 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 2.10 2.20 0.00 46 I 8.30 3.78 1.81 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.92 0.89 0.00 0.00 47 G 8.75 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 65 T 7.95 4.85 4.17 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 0.00 0.00 0.00 1.14 0.00 0.00 *67 P 0.00 4.44 0.00 2.18 2.05 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 68 F 9.02 5.18 0.00 2.99 2.99 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 69 T 9.12 4.61 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 1.33 0.00 0.00 70 D 8.09 4.94 0.00 2.96 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 71 Y 8.66 5.02 0.00 3.12 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 72 A 8.26 4.15 -0.08 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 0.00 0.00 73 E 8.42 2.72 0.00 1.79 1.60 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 1.91 2.28 0.00 74 E 5.90 2.92 0.00 1.69 1.71 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 1.83 1.51 0.00 75 K 6.73 4.44 0.00 1.16 1.58 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.64 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.16 7.81 76 Y 6.63 5.31 0.00 2.57 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 77 L 8.68 4.82 0.00 1.66 1.44 -0.20 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 78 G 9.21 4.67 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 0.00 0.00 0.00 79 V 8.90 5.15 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 1.20 0.00 0.00 0.23 0.00 0.00 80 T 8.97 4.58 4.36 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 1.40 0.00 0.00 81 W 9.20 5.14 0.00 3.65 3.19 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 82 D 7.77 3.91 0.00 1.87 1.54 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 83 T 8.05 4.46 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 1.14 0.00 0.00 84 G 8.42 4.99 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 85 I 8.54 5.50 1.91 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 1.01 0.96 0.00 0.00 86 I 8.86 4.45 1.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.30 0.32 0.00 0.00 87 Y 7.55 4.92 0.00 2.81 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 88 F 8.91 5.12 0.00 2.85 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 89 D 9.13 5.22 0.00 2.80 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 90 L 9.01 4.80 0.00 1.66 1.65 1.14 1.08 0.00 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0.00 0.00 0.00 0.00 1.22 0.00 0.00 99 L 9.00 4.82 0.00 1.68 1.53 0.99 0.56 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 0.00 100 L 8.91 4.70 0.00 1.80 1.65 1.12 0.61 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 0.00 101 V 8.93 4.62 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 0.92 0.00 0.00 0.91 0.00 0.00 102 F 8.98 5.10 0.00 2.99 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 0.00 103 S 8.00 4.74 0.00 3.61 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 0.00 104 E 9.02 4.79 0.00 1.55 1.83 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 2.23 2.42 0.00 105 S 9.01 4.69 0.00 3.95 3.70 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 0.00 106 L 8.61 4.43 0.00 1.21 0.58 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 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3.59 0.00 5.45 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.69 4.07 0.00 1.96 1.91 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.28 7.81 117 D 8.20 4.51 0.00 3.22 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 0.00 118 I 7.93 3.51 1.49 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 0.92 0.48 -0.78 0.00 0.00 119 A 8.03 4.09 1.60 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 0.00 0.00 120 G 8.30 3.59 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 0.00 0.00 0.00 121 W 8.26 4.15 0.00 3.55 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 0.00 122 S 8.52 4.25 0.00 4.30 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 0.00 123 I 7.95 3.86 2.04 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 0.84 0.00 0.00 124 V 8.04 3.81 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 0.27 0.00 0.00 0.95 0.00 0.00 125 L 8.56 4.05 0.00 1.69 1.65 0.36 0.60 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 0.00 126 N 8.28 4.31 0.00 3.05 3.09 0.00 0.00 6.61 7.72 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 0.00 127 R 8.25 4.00 0.00 2.04 2.29 0.00 3.34 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 128 L 8.39 3.67 0.00 0.77 1.43 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 129 K 7.85 3.75 0.00 1.81 1.97 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.45 7.81 130 Q 8.17 3.96 0.00 2.33 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 131 V 8.20 3.86 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 1.06 0.00 0.00 1.05 0.00 0.00 132 V 7.32 3.31 1.80 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 0.68 0.00 0.00 -0.03 0.00 0.00 133 E 8.03 4.31 0.00 2.04 1.98 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 2.31 2.39 0.00 134 T 8.26 4.64 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 1.19 0.00 0.00 135 P 0.00 4.43 0.00 2.09 2.26 0.00 3.69 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 2.08 2.26 0.00 136 D 7.83 4.92 0.00 2.73 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 0.00 137 A 8.15 4.05 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 0.00 138 A 8.32 4.12 1.23 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 0.00 0.00 139 P 0.00 4.52 0.00 2.21 2.11 0.00 3.77 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 2.01 2.02 0.00 140 E 8.49 4.06 0.00 2.02 1.98 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 2.29 2.37 0.00 141 K 8.52 4.21 0.00 1.71 1.85 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 142 I 7.55 4.19 1.56 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.57 0.89 0.00 0.00 143 D 7.87 4.63 0.00 2.63 2.49 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 0.00 0.00 0.00 0.00 144 F 8.69 4.03 0.00 3.08 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 0.00 145 P 0.00 4.43 0.00 2.18 2.15 0.00 3.91 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 146 Q 8.10 3.90 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 147 I 7.56 3.47 1.72 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.13 0.95 0.00 0.00 148 E 8.82 4.18 0.00 2.22 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 2.47 2.62 0.00 149 N 8.49 4.28 0.00 2.76 2.94 0.00 0.00 6.84 8.05 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 0.00 150 H 8.27 3.97 0.00 3.06 3.24 0.00 5.64 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 0.00 151 Y 7.98 4.11 0.00 3.17 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 0.00 152 L 8.26 3.81 0.00 1.68 1.79 0.69 1.17 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 0.00 153 E 8.27 3.89 0.00 2.06 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 2.27 2.42 0.00 154 K 7.49 3.66 0.00 1.44 0.74 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.96 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.18 1.30 7.81 155 L 7.89 4.06 0.00 1.65 1.69 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.01 4.12 4.36 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 1.17 0.00 0.00 157 N 7.91 4.37 0.00 2.83 2.88 0.00 0.00 7.28 7.94 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 0.00 158 L 7.61 4.15 0.00 1.85 1.75 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.47 4.09 0.00 2.14 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 2.33 2.31 0.00 160 N 8.60 4.49 0.00 2.69 2.70 0.00 0.00 6.88 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 * Residues marked with a * may have inaccurate shift predictions.