NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.7274 8.4449 116.3207 55.3284 30.7851 173.9701 0 H 4.5276 7.5958 119.4703 52.7882 26.9173 168.9933 1 V 4.6094 7.5184 120.4243 59.6887 36.6036 174.8722 2 K 4.9703 9.4624 125.3192 54.8421 34.4386 174.5639 3 I 5.1444 8.8558 128.1241 59.5503 40.1531 174.2228 4 A 5.1852 8.8141 128.6580 50.4553 20.8702 175.6042 5 I 5.1320 8.7908 122.7334 59.5680 41.8184 173.9963 6 A 5.2031 8.7179 127.3676 51.4605 23.0893 175.1961 7 S 5.6142 8.9348 113.5636 57.1898 67.2111 173.7588 8 D 4.5801 8.3244 120.5223 52.1704 41.4106 175.6740 9 H 4.2397 8.8253 113.0979 58.7440 28.6250 177.4604 10 A 3.8456 7.7930 121.7300 54.1202 18.5036 178.2094 11 A 4.6495 7.8075 115.9819 51.8881 19.4254 178.0111 12 F 4.0997 7.7335 125.9362 61.8082 39.3655 177.0394 13 E 3.7122 8.1600 118.2556 59.2331 29.4546 178.4288 14 L 3.8824 7.7209 119.8980 57.6898 42.1221 178.4514 15 K 3.8068 8.0612 119.8020 59.5893 32.0438 178.4987 16 E 3.7868 7.8223 118.6403 59.3801 29.3292 179.5955 17 K 4.0338 7.9064 118.3871 59.4047 32.1166 179.6729 18 V 3.7976 8.2191 118.8941 65.7879 31.4123 177.7906 19 K 3.8828 8.2899 119.6885 59.9364 32.0634 178.5229 20 N 4.3265 8.4000 116.6193 56.1649 38.1404 176.8636 21 Y 3.8437 7.8184 120.4035 60.5264 39.0768 177.8703 22 L 3.9025 7.9548 119.7691 57.8067 41.7766 179.4051 23 L 4.0552 8.2203 119.3659 57.8571 41.3466 179.8723 24 G 3.5927 7.9483 104.1799 46.7083 0.0000 174.7939 25 K 4.2931 7.4632 118.7379 55.5871 32.3610 177.1922 26 G 3.8117 7.7480 107.3389 45.8630 0.0000 173.5981 27 I 4.2654 7.4203 119.9396 60.3364 38.1660 175.3765 28 E 4.1358 8.4828 128.4116 56.2286 30.5587 175.4853 29 V 4.8541 8.4026 126.5042 61.1768 34.4672 174.1096 30 E 4.5256 9.3275 128.1305 54.9478 31.2699 174.5842 31 D 5.0933 8.7064 125.5943 53.2883 41.7414 175.4226 32 H 4.6097 9.2914 123.4987 56.1625 29.5086 176.4636 33 G 2.7345 8.5268 107.3084 43.9809 0.0000 172.9691 34 T 3.8449 7.1062 113.5518 62.1660 67.6403 173.8890 35 Y 4.9590 8.0295 119.3976 57.6430 38.6523 175.2692 36 S 3.6765 7.0189 113.4200 57.4860 65.5606 173.5246 37 E 4.2473 8.0538 118.0187 56.1816 29.3663 176.5048 38 E 3.9588 7.6461 120.8920 55.6224 30.2026 176.5431 39 S 3.5180 8.3972 120.0664 58.4918 62.7912 173.5194 40 V 4.5641 7.8477 119.2686 59.9863 36.0142 173.8903 41 D 4.8862 8.4882 120.2079 52.7468 42.2573 177.0104 42 Y 4.4066 8.7818 123.7911 60.2673 37.7761 177.0476 43 P 4.4064 0.0000 0.0000 65.2609 31.0888 178.1696 44 D 4.2554 8.0013 117.6706 57.4076 40.4840 178.2531 45 Y 3.8392 7.8014 116.2587 60.2422 38.1262 177.3260 46 A 4.0780 8.1635 121.9213 55.4756 18.3812 179.9177 47 K 3.7476 7.9495 116.2749 59.3224 31.9185 179.8519 48 K 3.8456 7.5107 118.5498 59.3663 31.9483 179.6507 49 V 3.4442 7.4610 118.6245 65.7411 31.3919 178.0140 50 V 3.4663 7.8734 118.3546 66.2215 31.2897 177.7682 51 Q 3.8272 8.0768 119.2450 59.2003 28.7547 178.2037 52 S 4.1005 7.7939 114.1189 61.2632 62.3937 176.3112 53 I 3.6794 7.8898 122.5789 64.4809 36.7230 178.5116 54 L 4.0793 8.0349 118.9849 57.2550 41.4725 178.7487 55 S 4.4056 7.9575 111.7331 57.4637 63.4430 173.3282 56 N 4.1329 7.7777 119.5215 54.9994 37.6224 174.4895 57 E 4.3126 8.3669 115.7358 56.6652 30.3318 176.3742 58 A 4.7786 7.4341 119.7206 50.5113 22.4968 175.4504 59 D 4.4191 8.7910 120.0261 56.4361 41.7515 177.3725 60 F 5.2564 8.0736 115.1370 55.7047 43.6432 174.3104 61 G 4.5936 9.3619 108.9290 44.8110 0.0000 172.5335 62 I 5.0966 8.6792 121.6126 59.2571 40.8569 174.5209 63 L 5.3632 8.9248 126.8952 52.9767 45.1621 175.7126 64 L 5.4144 8.0699 121.2219 51.8288 46.3688 177.8157 66 G 3.6618 8.8864 107.9946 49.4651 0.0000 175.4350 67 T 4.4139 8.1332 107.8196 60.2678 70.2896 175.0920 68 G 3.9505 8.1422 110.1977 45.5723 0.0000 174.8978 69 L 3.9922 7.8430 120.0621 58.0072 41.7734 180.1340 70 G 2.6683 7.6371 103.9288 46.3507 0.0000 174.7826 *72 S 4.3691 8.0326 115.7988 58.1319 65.3020 176.0038 73 I 3.8753 8.0018 121.4820 64.1784 36.7016 178.1910 74 A 4.1673 8.4533 121.7294 55.2890 18.0615 179.5945 75 A 4.2101 8.0624 118.7890 55.0655 18.3844 178.5096 76 N 4.7596 7.6019 111.0923 54.0890 38.7982 177.1452 77 R 3.9583 7.6967 120.5103 57.2182 30.4250 175.9363 78 Y 4.5624 7.1930 117.5216 55.6862 39.3655 175.4896 79 R 4.5266 7.9596 123.6945 57.3725 30.6332 177.1573 80 G 3.9902 9.1275 110.5906 45.0688 0.0000 173.2569 81 I 4.5138 7.3758 120.5847 59.8472 38.7176 175.7891 82 R 4.6900 9.3196 124.1225 54.2438 31.9837 172.8690 83 A 5.1937 9.4691 125.2004 50.2286 20.6148 175.9367 84 A 4.5964 9.0449 125.5409 49.8833 21.6167 175.1892 85 L 4.5864 8.6158 125.6449 55.3381 42.5732 175.7366 86 C 4.7679 8.5494 124.6937 58.1035 30.0233 174.4467 87 L 4.5144 8.5381 122.8514 54.9383 42.5767 176.0782 88 F 5.0685 7.1806 111.5661 54.6284 40.7488 172.3046 89 P 4.4902 0.0000 0.0000 66.1269 31.4773 179.7488 90 D 4.6750 8.2730 118.9545 53.8378 40.3495 178.3202 *92 A 4.3964 8.1685 123.3540 52.3650 20.8584 179.6865 93 R 3.8578 8.3548 115.7573 59.8572 30.0362 178.8663 94 L 3.8420 8.0373 118.3469 57.4705 41.5384 179.1179 95 A 4.0350 8.0561 120.3992 55.2902 18.0963 179.8199 96 R 3.7452 7.8278 115.9176 59.4060 30.2881 179.3317 97 S 4.4192 8.2780 116.5289 61.1651 62.6363 176.0079 98 H 4.3426 8.4754 116.8587 56.7876 29.6134 175.6213 99 N 4.6933 8.1815 113.0676 52.1891 39.4665 173.8076 100 N 3.8712 8.0497 115.7151 53.9055 37.3094 174.0460 101 A 4.2981 7.9351 119.6748 52.5637 19.3683 177.6737 102 N 5.3911 9.1073 117.7647 52.7572 39.6115 174.1229 103 I 5.1667 7.8586 120.7596 59.6391 41.4015 173.6796 104 L 4.2949 8.5632 129.5538 53.5294 43.6362 175.0755 105 V 4.7966 8.5040 126.5299 61.0774 34.0954 174.1834 106 L 5.0805 8.6481 127.1499 52.1796 45.7299 174.1584 107 P 4.5523 0.0000 0.0000 61.5956 31.5070 176.9842 108 G 3.5909 8.7820 115.0872 47.7269 0.0000 173.0936 109 R 4.3906 7.8889 116.7791 56.1467 31.0834 176.8471 110 L 4.3904 7.8061 117.5241 55.0804 42.8956 176.7159 111 I 4.4172 7.3109 109.7774 58.5937 40.1382 175.8926 112 G 3.6365 8.0148 107.5941 43.9113 0.0000 174.7100 113 A 3.3760 7.9986 123.7953 54.8381 18.3990 180.0043 114 E 2.9594 7.2690 117.1289 58.6945 29.6743 178.5424 115 L 2.9116 6.9117 119.6404 57.6301 42.0757 178.4268 116 A 3.8617 7.5658 120.7642 55.3263 18.1467 179.5879 117 F 4.0969 7.5732 116.2162 60.5534 38.8500 177.9669 118 W 4.4784 7.8219 118.5200 59.8474 28.7427 178.6975 119 I 3.8184 8.0630 119.8436 64.3238 36.5585 178.5847 120 V 3.6233 8.1342 119.3046 66.2193 31.1744 177.7375 121 D 4.5037 8.3471 117.4425 57.7753 40.8476 178.7108 122 T 4.0540 8.1281 116.1674 66.5618 68.2626 176.4043 123 F 3.9301 8.2735 121.5299 61.3329 39.5283 176.7494 124 L 3.8914 8.0392 116.2011 55.7038 41.6800 177.6028 125 S 4.6598 7.4324 111.8072 57.9469 63.6102 173.6301 126 T 4.4876 7.5390 118.4053 61.3291 69.4458 172.7206 127 P 4.5914 0.0000 0.0000 61.8361 32.5453 175.2283 128 F 5.1363 8.4551 121.4497 57.8472 39.8480 175.3605 129 D 4.3273 8.6404 127.8979 54.9966 42.3743 178.2647 130 G 3.1471 5.3800 107.3683 44.2563 0.0000 175.8100 131 G 3.6149 8.3711 115.0343 46.4966 0.0000 175.3255 132 R 4.1259 8.2204 119.7877 58.0376 30.6308 178.1106 133 H 4.3839 7.9122 115.7397 58.3106 28.6127 177.1172 134 E 4.1667 8.0625 121.7228 59.3428 29.4583 178.6097 135 R 3.9287 8.1099 118.2215 59.7016 30.1764 178.5449 136 R 3.9661 7.5315 117.6576 59.1931 29.8826 179.0660 137 I 3.7748 7.6478 111.8931 64.0737 37.8020 178.2175 138 R 4.0717 8.2267 119.8442 59.0060 29.9766 179.1219 139 K 4.0078 8.3225 118.3146 59.4490 31.7383 179.1999 140 I 3.7358 7.4634 119.0854 64.0923 37.2323 176.5856 141 D 4.7115 8.0456 117.0312 54.4997 41.3216 176.3787 142 E 4.5725 7.5828 121.1407 55.1988 27.9992 176.8856 143 V 3.8688 7.6693 114.8831 61.3798 31.7580 176.3949 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 H 8.44 4.73 0.00 3.23 3.43 0.00 5.49 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.60 4.53 0.00 3.21 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 V 7.52 4.61 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 0.90 0.00 0.00 1.22 0.00 0.00 2 K 9.46 4.97 0.00 1.86 1.71 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 3 I 8.86 5.14 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.98 0.99 0.00 0.00 4 A 8.81 5.19 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 5 I 8.79 5.13 1.91 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 1.17 1.93 1.01 0.00 0.00 6 A 8.72 5.20 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 7 S 8.93 5.61 0.00 3.89 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 0.00 8 D 8.32 4.58 0.00 2.90 2.87 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 0.00 9 H 8.83 4.24 0.00 3.37 3.72 0.00 5.46 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.79 3.85 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 11 A 7.81 4.65 1.27 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 0.00 0.00 12 F 7.73 4.10 0.00 2.99 3.12 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 0.00 13 E 8.16 3.71 0.00 2.11 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 0.00 2.32 2.35 0.00 14 L 7.72 3.88 0.00 1.70 1.56 0.74 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.06 3.81 0.00 1.85 1.79 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.58 7.81 16 E 7.82 3.79 0.00 1.86 1.78 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 1.47 1.47 0.00 17 K 7.91 4.03 0.00 2.00 2.06 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.56 7.81 18 V 8.22 3.80 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 1.07 0.00 0.00 1.08 0.00 0.00 19 K 8.29 3.88 0.00 1.90 2.00 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.51 7.81 20 N 8.40 4.33 0.00 2.78 2.85 0.00 0.00 6.73 7.43 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 21 Y 7.82 3.84 0.00 1.97 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 22 L 7.95 3.90 0.00 1.88 1.67 0.97 0.53 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 23 L 8.22 4.06 0.00 1.76 1.69 0.92 0.96 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 24 G 7.95 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 25 K 7.46 4.29 0.00 1.67 1.69 0.00 0.78 0.00 0.00 1.40 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 0.96 7.81 26 G 7.75 3.81 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 0.00 0.00 0.00 27 I 7.42 4.27 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.99 0.00 0.00 28 E 8.48 4.14 0.00 1.92 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 2.28 0.00 29 V 8.40 4.85 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 0.92 0.00 0.00 0.99 0.00 0.00 30 E 9.33 4.53 0.00 1.96 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 2.25 2.25 0.00 31 D 8.71 5.09 0.00 2.75 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 32 H 9.29 4.61 0.00 3.28 3.43 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.53 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.11 3.84 3.33 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 1.06 0.00 0.00 35 Y 8.03 4.96 0.00 3.03 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 36 S 7.02 3.68 0.00 3.70 3.67 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 37 E 8.05 4.25 0.00 1.89 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 2.29 2.15 0.00 38 E 7.65 3.96 0.00 1.89 1.78 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 2.28 2.20 0.00 39 S 8.40 3.52 0.00 3.70 3.66 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 40 V 7.85 4.56 2.36 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 0.88 0.00 0.00 0.91 0.00 0.00 41 D 8.49 4.89 0.00 2.81 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.78 4.41 0.00 3.27 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 43 P 0.00 4.41 0.00 2.08 2.13 0.00 3.25 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 1.73 1.76 0.00 44 D 8.00 4.26 0.00 2.61 2.29 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 45 Y 7.80 3.84 0.00 3.21 3.07 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 46 A 8.16 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.75 0.00 1.93 1.77 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.71 7.81 48 K 7.51 3.85 0.00 1.91 1.74 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.35 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.49 7.81 49 V 7.46 3.44 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 1.06 0.00 0.00 1.00 0.00 0.00 50 V 7.87 3.47 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 0.43 0.00 0.00 0.95 0.00 0.00 51 Q 8.08 3.83 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 52 S 7.79 4.10 0.00 3.87 3.96 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 53 I 7.89 3.68 1.96 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 1.73 0.69 0.89 0.00 0.00 54 L 8.03 4.08 0.00 1.53 1.71 0.87 0.83 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 55 S 7.96 4.41 0.00 4.02 3.99 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 56 N 7.78 4.13 0.00 2.82 2.87 0.00 0.00 7.09 7.79 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 57 E 8.37 4.31 0.00 2.12 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 2.29 2.39 0.00 58 A 7.43 4.78 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 59 D 8.79 4.42 0.00 2.62 2.32 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 60 F 8.07 5.26 0.00 3.09 3.08 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 61 G 9.36 4.59 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 62 I 8.68 5.10 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 1.09 0.69 0.84 0.00 0.00 63 L 8.92 5.36 0.00 1.53 1.52 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.07 5.41 0.00 1.56 1.43 0.93 0.80 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 66 G 8.89 3.66 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 0.00 0.00 0.00 67 T 8.13 4.41 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 1.16 0.00 0.00 68 G 8.14 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 0.00 0.00 0.00 69 L 7.84 3.99 0.00 1.64 1.65 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.64 2.67 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 *72 S 8.03 4.37 0.00 4.00 4.08 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 73 I 8.00 3.88 2.05 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 1.47 0.91 0.95 0.00 0.00 74 A 8.45 4.17 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 0.00 0.00 75 A 8.06 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 7.60 4.76 0.00 2.98 2.89 0.00 0.00 7.06 7.54 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 77 R 7.70 3.96 0.00 1.48 1.44 0.00 3.15 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 78 Y 7.19 4.56 0.00 3.03 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 79 R 7.96 4.53 0.00 1.84 1.90 0.00 3.25 0.00 0.00 2.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.60 0.00 80 G 9.13 3.99 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 81 I 7.38 4.51 2.20 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 1.38 1.01 1.01 0.00 0.00 82 R 9.32 4.69 0.00 1.71 1.84 0.00 3.21 0.00 0.00 3.13 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 83 A 9.47 5.19 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 84 A 9.04 4.60 1.31 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 0.00 0.00 85 L 8.62 4.59 0.00 1.61 1.58 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.55 4.77 0.00 2.78 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 87 L 8.54 4.51 0.00 1.65 1.87 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 88 F 7.18 5.07 0.00 3.15 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 89 P 0.00 4.49 0.00 2.34 2.30 0.00 3.93 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 90 D 8.27 4.67 0.00 3.09 2.78 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 *92 A 8.17 4.40 1.49 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 0.00 0.00 93 R 8.35 3.86 0.00 1.88 2.12 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 94 L 8.04 3.84 0.00 1.68 1.60 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.06 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 96 R 7.83 3.75 0.00 1.90 1.99 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.39 0.00 97 S 8.28 4.42 0.00 3.83 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 0.00 98 H 8.48 4.34 0.00 3.21 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.18 4.69 0.00 2.90 2.84 0.00 0.00 7.03 8.00 0.00 0.00 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 N 8.05 3.87 0.00 1.44 2.13 0.00 0.00 7.02 7.96 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 0.00 101 A 7.94 4.30 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 0.00 102 N 9.11 5.39 0.00 2.88 3.05 0.00 0.00 6.60 7.25 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 0.00 103 I 7.86 5.17 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.93 0.00 0.00 104 L 8.56 4.29 0.00 0.27 0.74 0.61 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.50 4.80 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 0.92 0.00 0.00 0.90 0.00 0.00 106 L 8.65 5.08 0.00 1.51 1.41 0.85 0.60 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 0.00 107 P 0.00 4.55 0.00 2.05 2.31 0.00 3.62 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 1.98 1.92 0.00 108 G 8.78 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 0.00 109 R 7.89 4.39 0.00 1.87 1.93 0.00 3.28 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 110 L 7.81 4.39 0.00 1.61 1.67 0.89 0.76 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 0.00 111 I 7.31 4.42 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.87 0.00 0.00 112 G 8.01 3.64 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 0.00 0.00 0.00 0.00 113 A 8.00 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 7.27 2.96 0.00 1.72 1.45 0.00 0.00 0.00 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 1.47 0.00 115 L 6.91 2.91 0.00 1.33 1.46 1.04 1.00 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 0.00 116 A 7.57 3.86 1.15 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 0.00 0.00 117 F 7.57 4.10 0.00 2.65 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 0.00 0.00 0.00 118 W 7.82 4.48 0.00 3.56 3.16 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 0.00 119 I 8.06 3.82 2.01 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 1.44 0.93 0.89 0.00 0.00 120 V 8.13 3.62 2.38 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 1.17 0.00 0.00 1.00 0.00 0.00 121 D 8.35 4.50 0.00 3.03 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 0.00 122 T 8.13 4.05 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 1.32 0.00 0.00 123 F 8.27 3.93 0.00 3.03 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 0.00 124 L 8.04 3.89 0.00 1.68 1.70 0.99 0.57 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 0.00 125 S 7.43 4.66 0.00 3.90 3.96 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 0.00 126 T 7.54 4.49 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 1.23 0.00 0.00 127 P 0.00 4.59 0.00 2.25 2.20 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 128 F 8.46 5.14 0.00 2.99 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 0.00 129 D 8.64 4.33 0.00 2.70 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 0.00 130 G 5.38 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 0.00 0.00 0.00 131 G 8.37 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 0.00 132 R 8.22 4.13 0.00 1.71 1.91 0.00 3.26 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 133 H 7.91 4.38 0.00 3.49 3.78 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.06 4.17 0.00 2.18 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 2.39 2.44 0.00 135 R 8.11 3.93 0.00 1.93 1.94 0.00 3.24 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 1.72 1.75 0.00 136 R 7.53 3.97 0.00 2.16 2.01 0.00 3.23 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 137 I 7.65 3.77 1.82 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.56 1.00 0.00 0.00 138 R 8.23 4.07 0.00 2.07 2.04 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 139 K 8.32 4.01 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 140 I 7.46 3.74 2.07 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 1.54 0.68 0.92 0.00 0.00 141 D 8.05 4.71 0.00 2.85 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 0.00 142 E 7.58 4.57 0.00 2.12 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 2.31 2.48 0.00 143 V 7.67 3.87 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 0.71 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.