NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3024 8.4449 121.4890 55.3785 30.8414 175.4824 3 L 2.4738 8.2573 125.4472 55.4717 41.9966 175.9975 4 F 3.5485 6.6248 119.2046 58.9686 37.4634 175.4332 5 T 4.8117 7.5272 108.7322 59.5635 72.7740 173.2116 6 E 3.9520 8.7871 121.9401 59.6048 29.6555 178.9551 7 A 4.0398 8.0626 120.2721 54.7805 18.4527 179.3183 8 W 3.8418 8.0638 126.6451 60.5113 30.8839 177.8701 9 A 4.1272 8.5316 121.1206 55.5882 17.8062 179.6975 10 Q 3.8801 8.2490 116.0248 59.1028 28.8200 178.9008 11 A 3.9179 7.9263 121.7556 54.9567 18.2093 179.1854 12 Y 3.7633 7.8839 118.7015 60.7916 38.7848 177.0256 13 C 3.8329 7.9428 119.4112 59.5761 37.8275 175.5279 14 R 3.7588 7.7438 120.0594 59.4480 29.4586 178.6104 15 K 4.1967 7.6667 118.2932 58.9094 32.3795 179.0367 16 L 3.9501 7.9191 119.5186 57.7374 41.2503 179.2101 17 N 4.5181 7.9258 115.1496 55.3762 38.4962 176.2876 18 E 4.5720 7.8619 118.2951 55.6474 29.9813 175.3567 19 S 4.6781 7.5034 114.7571 56.9837 63.1707 174.0792 20 E 3.9899 8.7367 130.1289 59.1893 29.3124 179.1934 21 A 3.9889 7.9272 120.5847 55.3304 18.5273 178.9191 22 Y 3.9755 8.1132 118.1316 60.6665 38.6437 177.8307 23 R 3.9625 7.8334 120.0699 58.7050 30.4145 178.4471 24 K 4.0442 8.1150 117.7723 59.5034 31.9281 179.2312 25 A 4.0252 7.7854 119.3156 54.2447 18.3965 178.5404 26 A 4.6526 7.4792 118.0737 51.8146 19.7890 178.6283 27 S 3.9867 7.6923 118.7058 62.7906 62.8578 175.9118 28 T 4.1749 7.7423 107.7952 60.7446 69.5342 174.2539 29 W 3.8481 8.2183 133.2192 57.6225 31.8870 174.9292 30 E 4.2663 7.2397 124.7722 54.4568 32.7650 173.8145 31 G 4.0344 7.8965 108.7717 43.4483 0.0000 173.7969 32 S 4.9442 9.4784 118.8853 57.8764 65.2292 172.8089 33 L 5.4855 9.1752 122.7426 53.5100 45.4221 174.6492 34 A 5.2157 9.3740 128.2864 50.2527 21.8908 175.1796 35 L 4.9703 9.0531 123.3742 53.3224 43.2741 175.1853 36 A 5.1008 9.3246 127.1100 50.0798 21.8834 175.2919 37 V 4.7534 8.4877 122.3792 60.9728 33.2830 175.8036 38 R 4.3921 8.5816 127.1226 55.2868 30.9176 174.8223 39 P 4.4192 0.0000 0.0000 63.9743 32.0703 176.7982 40 D 4.6547 9.4062 123.5503 52.3515 42.3147 173.4145 41 P 4.2725 0.0000 0.0000 65.0688 31.9025 179.0560 42 K 3.8560 8.1301 115.5770 58.8248 32.0106 177.3489 43 A 4.2681 7.6466 118.3254 51.6750 19.1151 177.6125 44 G 3.6342 8.2296 104.3614 45.6057 0.0000 174.7570 45 F 5.1623 7.7171 116.8488 54.7961 38.9719 174.2787 46 P 4.4655 0.0000 0.0000 64.9941 31.8563 178.1249 47 K 4.3047 8.3443 116.0522 55.5576 32.9685 176.6898 48 G 4.2556 9.6441 105.5067 45.4839 0.0000 172.2548 49 V 4.8162 7.7113 115.9469 60.9569 35.0447 172.5989 50 A 5.0172 8.8986 122.1049 50.9061 23.3446 175.2113 51 V 4.7824 8.7042 119.2117 61.1457 34.5558 174.4560 52 V 4.7940 8.9944 128.6380 61.2394 33.7166 174.0017 53 L 4.9548 9.1665 128.5850 53.3349 43.9737 175.5486 54 D 5.0160 9.3195 125.3714 53.2077 40.9477 174.2209 55 L 5.1909 8.2889 123.6417 53.2412 44.4897 175.5435 56 W 4.7955 9.7182 132.1575 57.2789 34.1968 174.1773 57 H 4.8405 9.8666 127.1357 55.7525 26.1811 176.0695 58 G 3.7187 8.5732 107.1270 44.8492 0.0000 173.2997 59 A 4.7426 7.9974 122.0491 50.4177 21.5818 174.6256 60 C 5.0305 9.3380 120.1254 55.0016 44.1027 174.2679 61 R 3.9459 9.0869 127.3095 56.6014 30.4018 177.1635 62 G 4.4425 7.0552 109.1392 46.2606 0.0000 171.3523 63 A 5.7110 8.2184 122.0174 49.4756 23.0332 175.3563 64 K 4.5965 8.2805 113.9286 56.2775 35.3410 173.8298 65 A 5.1233 9.0906 125.2086 50.7804 20.4774 176.7178 66 V 4.4354 8.9661 122.0896 60.8592 34.9640 174.1789 67 E 4.2275 8.9223 128.7000 57.0359 30.2621 177.8354 68 G 4.2605 8.6352 114.2560 44.4037 0.0000 172.6570 69 E 4.1040 8.6462 119.7379 56.2384 30.2262 176.0220 70 A 4.8140 8.3163 124.5392 50.3266 22.0234 175.1587 71 E 4.5567 8.4248 119.9785 54.9691 31.1974 175.4316 72 A 4.5314 7.8716 123.5495 51.4292 21.9132 175.9860 73 D 4.5124 9.1520 120.2716 56.7198 41.5437 177.6194 74 F 5.1180 8.7206 116.5170 55.5361 43.0923 174.6046 75 V 4.9419 8.9166 122.3285 61.2732 34.7126 174.0011 76 I 5.0267 9.1331 129.0829 59.7388 39.7548 174.2671 77 E 5.4823 9.1399 128.5004 54.8619 32.6765 174.2928 78 A 4.5683 8.5277 124.4225 51.2395 23.5036 175.7050 79 D 4.7105 8.2344 118.9069 53.8420 41.9214 177.5477 80 L 3.9388 8.8273 123.7705 58.6575 41.9229 179.2746 81 A 4.2179 8.0942 119.8284 55.6404 18.1444 179.6324 82 T 3.8902 7.7557 113.4665 66.6873 68.6430 176.8082 83 W 4.4125 8.0124 120.7847 59.9286 28.7294 178.5878 84 Q 4.1206 8.7262 118.4640 59.0125 28.1007 178.7516 85 E 4.0451 8.2496 119.5679 59.3342 29.5380 179.6234 86 V 3.8946 7.9584 119.6555 65.5968 31.6687 177.6697 87 L 4.3209 8.6576 116.8452 56.1042 41.4727 177.8602 88 E 4.5927 7.7040 116.0202 55.6130 30.2327 176.9493 89 G 3.9600 8.2506 106.9317 45.9174 0.0000 174.9072 90 R 4.2306 8.0660 117.8887 56.6743 30.2865 176.3710 91 L 4.5978 7.4671 120.0776 52.0093 45.1344 174.5904 92 E 4.3799 8.7776 127.1350 55.2652 30.8212 175.3568 93 P 4.2465 0.0000 0.0000 66.0488 31.2208 178.6019 94 L 3.9757 8.1364 117.2674 57.7170 41.7267 179.2884 95 S 4.2512 8.6430 113.9801 61.3786 63.0039 176.2705 96 A 4.1359 7.9110 123.3988 54.7452 17.9568 179.6211 97 L 4.4248 7.8375 117.4036 55.1508 41.3857 178.6110 *99 R 4.1816 8.0648 116.2442 54.7621 31.7776 176.7564 100 G 3.9709 7.8433 105.6415 45.0403 0.0000 174.4976 101 L 3.9543 7.7544 119.6708 56.8984 41.9022 177.1383 102 L 4.3051 7.7758 119.5346 52.8738 43.6895 175.3590 103 E 4.4856 9.0868 126.3345 54.3697 31.4619 174.6990 104 L 4.7603 8.6065 129.7714 54.8605 41.4209 176.1236 105 K 4.3381 9.1361 127.6137 58.2560 33.1978 177.8185 106 K 4.4659 8.2055 120.6366 55.8036 35.6403 176.0178 107 G 4.0054 9.1749 113.1048 45.1054 0.0000 172.9911 108 T 4.8008 8.2218 108.4383 59.3236 72.7186 175.0660 109 I 3.7821 8.4095 123.2157 64.6702 36.9969 178.3495 110 A 3.9087 8.1506 119.8555 55.4107 18.2356 179.0813 111 A 4.2576 7.8955 117.5945 54.6150 18.7925 178.9186 112 L 4.4498 8.2131 118.4331 57.1276 42.3121 178.2825 113 A 4.0367 8.9441 122.3828 55.1066 18.0768 177.8895 114 P 4.2335 0.0000 0.0000 64.6053 31.5619 177.1753 115 Y 4.7448 7.9734 115.7878 57.5619 39.0683 177.5609 116 A 4.0482 7.7568 125.0093 55.5960 18.3501 180.1199 117 Q 4.3991 8.3197 118.5274 58.7570 29.2166 178.0442 118 A 3.9840 8.0746 121.2300 54.9987 18.4446 179.3053 119 A 3.9016 8.0895 119.2757 55.4501 18.4858 179.8211 120 Q 3.9980 8.3285 116.7263 59.2825 28.7773 179.1178 121 E 4.0738 8.5900 119.7808 59.2177 29.5227 179.1181 122 L 3.7967 8.4568 119.5827 57.9680 41.7168 179.9290 123 V 3.6869 7.8795 117.9022 65.9576 31.2884 178.1823 124 K 3.9986 8.0823 117.3196 59.5000 32.1827 179.2097 125 V 3.7359 8.4243 118.7522 65.8280 31.4552 177.7946 126 A 3.5569 8.1368 120.6086 55.3161 17.9448 179.8300 127 R 4.3284 7.7573 116.6016 58.3687 30.1679 178.0982 128 E 4.3845 7.7607 115.8494 55.2953 30.1189 176.3858 129 V 3.6872 7.1968 120.0918 61.7737 32.3180 175.7440 130 A 4.1979 8.5649 128.3328 52.7223 18.1382 177.1155 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 2 E 8.44 4.30 0.00 1.96 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 2.23 2.45 0.00 3 L 8.26 2.47 0.00 1.63 0.97 0.80 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 4 F 6.62 3.55 0.00 2.86 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 5 T 7.53 4.81 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 1.43 0.00 0.00 6 E 8.79 3.95 0.00 2.15 2.05 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 2.41 2.48 0.00 7 A 8.06 4.04 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 W 8.06 3.84 0.00 3.50 3.32 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 9 A 8.53 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.25 3.88 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 11 A 7.93 3.92 1.20 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 12 Y 7.88 3.76 0.00 1.57 2.61 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 13 C 7.94 3.83 0.00 3.04 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 14 R 7.74 3.76 0.00 1.87 1.98 0.00 3.11 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 15 K 7.67 4.20 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.39 7.81 16 L 7.92 3.95 0.00 1.49 1.31 -0.18 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.93 4.52 0.00 2.82 2.88 0.00 0.00 7.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.86 4.57 0.00 2.12 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 0.00 2.26 2.52 0.00 19 S 7.50 4.68 0.00 4.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.74 3.99 0.00 2.06 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 2.41 2.39 0.00 21 A 7.93 3.99 1.41 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 0.00 0.00 22 Y 8.11 3.98 0.00 3.11 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 23 R 7.83 3.96 0.00 2.08 2.08 0.00 3.17 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 24 K 8.11 4.04 0.00 1.95 1.80 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.65 7.81 25 A 7.79 4.03 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 26 A 7.48 4.65 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 27 S 7.69 3.99 0.00 3.97 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 28 T 7.74 4.17 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 1.14 0.00 0.00 29 W 8.22 3.85 0.00 3.15 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 30 E 7.24 4.27 0.00 1.22 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 1.47 1.47 0.00 31 G 7.90 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 0.00 0.00 0.00 0.00 32 S 9.48 4.94 0.00 4.03 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 0.00 33 L 9.18 5.49 0.00 1.89 1.56 1.12 1.13 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 34 A 9.37 5.22 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 35 L 9.05 4.97 0.00 1.35 0.69 0.79 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 36 A 9.32 5.10 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 37 V 8.49 4.75 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.65 0.00 0.00 38 R 8.58 4.39 0.00 1.74 1.85 0.00 3.50 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 1.67 1.71 0.00 39 P 0.00 4.42 0.00 1.94 2.22 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 40 D 9.41 4.65 0.00 2.81 2.61 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 41 P 0.00 4.27 0.00 2.21 2.09 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 42 K 8.13 3.86 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.38 7.81 43 A 7.65 4.27 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.23 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.72 5.16 0.00 3.08 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 46 P 0.00 4.47 0.00 2.19 2.21 0.00 3.87 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 47 K 8.34 4.30 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.42 7.81 48 G 9.64 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 0.00 0.00 0.00 0.00 49 V 7.71 4.82 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 0.85 0.00 0.00 50 A 8.90 5.02 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 51 V 8.70 4.78 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 1.22 0.00 0.00 0.97 0.00 0.00 52 V 8.99 4.79 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 1.03 0.00 0.00 0.98 0.00 0.00 53 L 9.17 4.95 0.00 1.57 1.47 0.84 0.59 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 0.00 54 D 9.32 5.02 0.00 2.79 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 55 L 8.29 5.19 0.00 2.21 1.76 0.68 0.62 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 56 W 9.72 4.80 0.00 3.48 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 57 H 9.87 4.84 0.00 3.31 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.57 3.72 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 0.00 0.00 0.00 59 A 8.00 4.74 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 60 C 9.34 5.03 0.00 2.68 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 61 R 9.09 3.95 0.00 2.08 1.94 0.00 3.19 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 62 G 7.06 4.44 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 63 A 8.22 5.71 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 64 K 8.28 4.60 0.00 1.81 1.88 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.39 7.81 65 A 9.09 5.12 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 66 V 8.97 4.44 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 1.03 0.00 0.00 0.96 0.00 0.00 67 E 8.92 4.23 0.00 2.07 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 2.31 2.37 0.00 68 G 8.64 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 0.00 0.00 0.00 0.00 69 E 8.65 4.10 0.00 1.98 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 2.32 2.26 0.00 70 A 8.32 4.81 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 71 E 8.42 4.56 0.00 1.97 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 2.25 2.36 0.00 72 A 7.87 4.53 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.15 4.51 0.00 2.97 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 74 F 8.72 5.12 0.00 3.23 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 75 V 8.92 4.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.01 0.00 0.00 76 I 9.13 5.03 2.28 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.82 1.04 0.00 0.00 77 E 9.14 5.48 0.00 2.07 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 2.28 0.00 78 A 8.53 4.57 0.54 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 79 D 8.23 4.71 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.83 3.94 0.00 1.78 1.83 0.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.09 4.22 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 82 T 7.76 3.89 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 0.98 0.00 0.00 83 W 8.01 4.41 0.00 3.58 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 4.12 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 85 E 8.25 4.05 0.00 2.21 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 2.33 2.33 0.00 86 V 7.96 3.89 2.26 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 1.36 0.00 0.00 0.86 0.00 0.00 87 L 8.66 4.32 0.00 1.74 1.64 0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.70 4.59 0.00 2.18 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 0.00 2.25 2.22 0.00 89 G 8.25 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 0.00 0.00 0.00 90 R 8.07 4.23 0.00 1.94 1.99 0.00 3.12 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 91 L 7.47 4.60 0.00 1.63 1.43 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.78 4.38 0.00 2.04 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 2.38 2.31 0.00 93 P 0.00 4.25 0.00 2.34 2.35 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 94 L 8.14 3.98 0.00 1.88 1.79 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.64 4.25 0.00 3.87 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 96 A 7.91 4.14 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 97 L 7.84 4.42 0.00 1.87 1.79 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *99 R 8.06 4.18 0.00 1.84 1.99 0.00 3.24 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.88 0.00 100 G 7.84 3.97 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 0.00 0.00 0.00 101 L 7.75 3.95 0.00 1.68 1.62 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.78 4.31 0.00 1.47 1.38 0.81 -0.40 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 0.00 103 E 9.09 4.49 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 104 L 8.61 4.76 0.00 1.77 1.68 1.21 0.84 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 0.00 105 K 9.14 4.34 0.00 1.84 1.89 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.68 1.70 7.81 106 K 8.21 4.47 0.00 1.79 1.69 0.00 1.67 0.00 0.00 1.96 0.00 0.00 2.72 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.39 7.81 107 G 9.17 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 0.00 0.00 0.00 108 T 8.22 4.80 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 1.24 0.00 0.00 109 I 8.41 3.78 1.93 0.00 0.00 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 1.64 0.98 0.96 0.00 0.00 110 A 8.15 3.91 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 0.00 111 A 7.90 4.26 1.62 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 0.00 112 L 8.21 4.45 0.00 2.10 1.80 0.73 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.94 4.04 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 0.00 114 P 0.00 4.23 0.00 1.55 1.87 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 115 Y 7.97 4.74 0.00 3.29 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 0.00 116 A 7.76 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Q 8.32 4.40 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.29 0.00 118 A 8.07 3.98 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 0.00 119 A 8.09 3.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.00 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 121 E 8.59 4.07 0.00 2.33 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 0.00 2.55 2.72 0.00 122 L 8.46 3.80 0.00 1.86 1.76 0.71 0.14 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 0.00 123 V 7.88 3.69 2.28 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 1.11 0.00 0.00 1.08 0.00 0.00 124 K 8.08 4.00 0.00 1.95 1.89 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.69 7.81 125 V 8.42 3.74 2.30 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 1.02 0.00 0.00 0.97 0.00 0.00 126 A 8.14 3.56 1.21 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 0.00 0.00 127 R 7.76 4.33 0.00 2.04 2.04 0.00 3.15 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 128 E 7.76 4.38 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 129 V 7.20 3.69 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 0.15 0.00 0.00 0.58 0.00 0.00 130 A 8.56 4.20 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 * Residues marked with a * may have inaccurate shift predictions.