NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0290 8.0549 114.0407 61.4877 33.2639 174.4519 3 H 4.8576 8.3727 119.4772 54.7658 31.2650 172.7711 4 D 4.7944 10.6036 120.7245 55.0166 39.8521 174.0638 5 S 3.6451 8.8336 108.0434 59.5935 60.6279 172.3470 6 A 3.8476 8.0319 118.4261 52.7969 16.6037 178.5098 7 L 4.0844 7.6796 118.3871 55.4352 42.3965 175.9365 8 P 4.5711 0.0000 0.0000 62.0327 32.0554 177.0582 9 F 4.1489 8.9922 114.2844 59.4388 37.4273 175.8127 10 D 2.0000 6.1710 117.6854 51.4592 39.1510 176.0374 11 A 4.0673 7.3144 122.7295 52.6883 18.8697 177.7997 12 L 4.9936 8.1416 120.7975 52.0057 44.7974 175.2378 13 P 5.1264 0.0000 0.0000 61.5257 32.1183 173.6442 *15 P 4.4487 0.0000 0.0000 61.9910 32.2569 176.3055 16 P 4.3046 0.0000 0.0000 65.4736 31.6844 177.0410 17 Q 4.3267 8.2689 115.6557 54.5038 30.0212 176.4977 18 G 3.2651 7.7161 107.5320 45.9559 0.0000 175.1830 19 R 2.7485 6.9861 118.4260 58.5582 30.0826 176.5624 20 E 4.3377 7.0962 116.2046 55.1151 27.2362 176.1050 21 G 3.9428 8.1167 111.0878 46.1485 0.0000 169.2385 22 F 5.0202 8.3211 122.9483 58.4111 44.5246 173.5140 23 E 3.5945 7.7236 121.4807 55.0893 30.7169 176.5766 24 E 4.2805 8.2161 125.3748 55.3715 31.0119 176.7941 25 C 4.2106 8.4771 121.3136 55.9116 44.0579 173.0113 26 P 4.1414 0.0000 0.0000 64.8352 31.1164 176.4729 27 Y 4.8281 7.1851 113.2426 56.1081 38.6685 175.0935 28 L 4.5599 7.3345 119.4156 52.3878 45.6895 176.0027 29 D 4.5256 8.6497 123.2522 53.8614 42.6703 176.6671 30 S 4.2213 8.8684 123.3613 62.0382 62.9979 176.7526 31 Q 4.0093 8.2098 119.9587 58.8668 28.4382 178.7359 32 W 4.0256 8.6000 129.2271 60.4002 30.6903 178.1891 33 V 3.0649 8.0627 118.0469 65.5961 30.7826 177.8479 34 A 3.9673 7.8283 120.5124 55.2738 18.0170 179.4091 35 D 4.1533 7.7329 116.0643 57.6392 40.9398 178.9632 36 T 3.5631 7.1163 115.1419 66.5413 68.4304 176.0992 37 N 4.3438 7.8114 117.9817 56.0795 39.0889 175.6347 38 G 4.0962 7.9574 106.1977 45.1726 0.0000 173.1765 39 Q 4.7867 7.6313 117.3284 53.4762 32.5467 178.1680 40 R 4.3389 8.2806 118.5870 56.1875 29.6430 178.7287 *42 T 4.3860 8.6248 117.6131 64.3725 70.8251 173.9172 43 G 4.2102 8.2546 106.2188 46.8578 0.0000 172.0297 44 Q 5.4529 8.2703 116.2107 55.5566 32.0691 173.3806 45 G 4.7392 9.0730 106.7266 45.5067 0.0000 171.6737 46 V 5.0483 8.2947 111.8438 59.3714 35.4472 175.5941 47 D 4.9329 9.2203 123.5083 52.7675 42.5221 175.7700 48 T 4.5844 8.5115 115.6533 61.7467 69.3347 176.9957 49 R 3.9204 8.3108 123.6660 58.8964 30.2482 176.6742 50 F 4.7896 7.2431 112.8815 56.0646 40.2468 175.2747 51 D 4.5348 9.4792 126.1756 57.6663 40.7582 177.5973 52 T 4.4644 7.8021 115.8381 61.2631 69.0058 172.9087 53 P 4.8358 0.0000 0.0000 62.9629 32.0654 176.3944 54 A 4.4139 9.0080 125.7075 52.2141 19.8941 175.6338 55 C 5.1949 9.1741 118.1908 54.9750 45.0068 173.3767 56 V 4.5503 8.3265 122.7896 60.8318 34.6251 174.0805 57 F 5.1286 8.7606 125.5854 55.4859 42.2768 173.9186 58 W 4.9243 9.5386 123.7224 55.1079 31.6574 175.4416 59 S 5.4518 8.6247 117.8764 56.7808 63.3938 173.7038 60 Y 4.3265 8.5963 114.4194 59.4486 38.1199 175.0277 61 P 4.4777 0.0000 0.0000 62.0512 32.1649 176.2500 62 E 4.1031 8.8488 119.4715 59.5349 29.5760 178.2241 63 A 4.2282 7.8377 120.6761 50.9065 19.0401 175.4513 64 P 3.9927 0.0000 0.0000 62.6551 31.9012 176.4613 65 Q 4.2020 8.7450 118.0028 58.9802 29.9424 175.7427 66 A 5.1445 7.6050 119.3725 50.8533 22.9907 175.2935 67 T 5.0220 9.2150 117.3615 61.8588 72.5449 173.4760 68 V 5.1982 8.9186 125.0048 59.8499 35.9284 174.1285 *70 V 4.2372 8.1359 121.8158 62.7957 32.2893 174.4286 71 R 5.0697 9.2751 126.9291 54.8570 32.8438 175.0006 72 H 5.0305 9.6944 120.9691 53.6499 31.3103 172.9723 *74 P 4.4762 0.0000 0.0000 62.3929 33.3044 177.0416 75 S 4.6096 7.3688 111.5716 56.0216 66.4814 174.7434 76 E 4.1173 8.5691 123.7656 58.6933 29.4760 178.0607 77 E 3.9617 8.2222 118.9970 59.6872 29.6779 178.7353 78 E 4.0045 8.3116 118.0930 59.1692 29.5250 179.1074 79 A 4.0893 8.0835 121.0326 55.3135 18.3488 179.7804 80 I 3.7299 8.2282 118.7528 64.3418 37.0710 178.6004 81 R 3.8768 7.8914 119.5014 59.2705 29.8680 178.7051 82 V 4.0206 7.9174 117.8842 66.2740 31.5496 178.1124 83 V 3.6430 7.8623 117.8065 66.3287 31.2400 177.7766 84 D 4.5229 8.6606 118.9355 56.8235 40.3619 178.6586 85 W 4.3651 8.5183 128.3391 60.6517 30.9326 177.7304 86 A 3.7215 8.2102 119.1591 53.3156 18.9189 177.3684 87 A 4.4826 7.8953 119.6488 48.8964 19.2489 173.3266 88 P 4.6806 0.0000 0.0000 61.5794 32.4684 177.9378 89 I 3.6955 8.4946 122.8507 64.3055 37.1008 176.7864 90 D 4.7248 8.0042 116.5020 53.5980 39.7362 176.4592 91 T 4.5804 7.9909 108.5169 61.3849 69.8298 173.1388 92 T 4.8908 7.6377 111.2510 60.1100 72.4971 172.6176 93 E 4.7304 8.7804 120.0662 53.7454 32.6244 173.6331 94 P 4.8624 0.0000 0.0000 62.8345 32.4928 175.7412 95 A 4.6298 8.6234 124.5975 49.8557 21.5367 176.4006 96 E 5.2757 8.7719 121.8051 55.0781 31.1983 175.4053 97 E 4.8519 8.0638 117.3435 53.6171 33.1662 174.2229 98 P 4.5881 0.0000 0.0000 61.8844 32.4013 175.2473 99 D 4.6243 8.5711 118.3053 56.5119 40.8415 177.5929 100 G 3.9296 9.2526 112.0419 44.7703 0.0000 173.0836 101 W 4.8662 8.1449 119.6743 55.1760 31.4166 175.0969 102 S 5.0847 8.3882 114.6898 56.7315 66.3059 173.0786 103 G 4.5868 7.9962 117.2261 46.0063 0.0000 173.4719 104 G 4.5184 8.6835 112.7676 44.9055 0.0000 170.5682 105 R 5.1848 8.4964 114.9701 55.1869 33.3287 173.8502 106 A 4.5546 8.3377 118.7082 51.2144 23.3178 175.6948 107 G 4.3355 8.4451 107.6691 43.8606 0.0000 171.3038 108 H 5.2516 9.1385 123.2813 53.9112 32.9829 174.0285 109 E 4.2311 8.9680 115.3353 59.4306 29.2733 178.0472 110 E 4.0395 8.0113 116.9365 56.8949 30.1715 175.3905 111 G 3.9467 6.7893 104.1809 43.1181 0.0000 172.2585 112 A 5.3361 8.8414 120.6022 50.2573 23.2530 176.0205 113 V 4.8151 8.9138 117.9497 60.4126 35.6626 174.1382 114 Y 4.8226 8.6548 123.0365 56.3761 42.1782 173.5458 115 A 4.9533 8.7176 128.8410 50.3462 22.2321 175.0083 116 V 5.0142 8.8879 115.3795 59.8061 36.6116 174.7319 117 Q 5.3442 9.3762 120.6593 54.5939 32.7780 174.4415 118 K 3.8460 8.2921 121.2485 54.7021 34.4242 175.6900 119 G 3.6318 8.6119 119.2258 46.4829 0.0000 172.2279 120 P 4.7371 0.0000 0.0000 62.7097 31.8436 175.5780 121 V 4.5340 7.6039 120.2103 61.6487 33.4063 174.4193 122 A 5.4807 9.0450 128.9961 50.1642 22.6130 174.9617 123 V 4.5838 9.0024 120.5672 61.0466 34.3649 174.4883 124 V 4.6263 8.2831 126.9499 60.9073 34.8685 174.0678 125 V 4.7480 8.4713 126.8592 60.9343 34.6937 173.9667 126 W 5.2246 9.2931 127.5148 55.0373 32.0022 174.8397 127 S 5.2517 9.1120 117.8695 56.4495 65.3830 173.9403 128 N 4.6960 9.0340 121.7034 53.7681 37.7718 175.1411 129 Q 4.4595 8.4102 120.1317 55.1327 30.2175 176.4296 130 Q 4.3422 8.3862 117.3310 57.1064 29.6281 175.7104 131 Q 4.5006 7.7352 118.5144 54.3025 29.1811 176.5986 132 S 4.2005 8.5395 119.5815 60.8952 63.0285 175.8452 133 L 3.8525 7.9630 124.0257 58.0400 41.4413 178.8898 134 K 3.7758 7.6995 117.1772 59.3869 32.0945 178.7973 135 A 4.0467 7.7707 119.0935 55.0180 18.6710 178.7070 136 E 2.6122 8.2325 118.1157 58.8342 29.5798 179.5770 137 L 4.0175 7.6795 115.4316 55.3303 41.2809 178.7706 *139 A 4.1757 7.9080 123.5442 52.2313 20.5325 180.0533 140 K 3.7137 7.7583 115.1966 59.4339 31.9071 179.2389 141 E 3.6760 8.2501 119.2838 58.9880 29.4710 178.6102 142 A 4.0742 7.8786 120.2345 55.3380 18.5397 179.2738 143 I 3.3920 7.6608 118.1052 64.4084 37.2559 178.3996 144 A 3.8977 7.9260 121.3034 55.4533 18.0400 179.9624 145 R 3.8762 7.9819 115.3318 59.1397 30.2290 178.6868 146 L 4.2527 8.2024 117.0238 54.3143 42.0404 176.9227 147 G 3.8776 7.6489 106.5000 46.5827 0.0000 173.9018 148 L 4.3341 7.9131 124.8518 54.6390 41.7465 177.0126 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 V 8.05 4.03 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 0.88 0.00 0.00 0.90 0.00 0.00 3 H 8.37 4.86 0.00 3.42 3.37 0.00 5.77 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 10.60 4.79 0.00 2.91 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 5 S 8.83 3.65 0.00 3.82 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 6 A 8.03 3.85 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 7 L 7.68 4.08 0.00 1.63 1.60 0.34 0.65 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 8 P 0.00 4.57 0.00 2.23 2.17 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 1.90 1.86 0.00 9 F 8.99 4.15 0.00 3.15 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 10 D 6.17 2.00 0.00 1.58 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 11 A 7.31 4.07 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 12 L 8.14 4.99 0.00 1.65 1.53 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.13 0.00 2.06 2.09 0.00 3.75 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 *15 P 0.00 4.45 0.00 2.46 2.26 0.00 3.90 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 2.24 2.18 0.00 16 P 0.00 4.30 0.00 2.21 2.22 0.00 3.93 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 17 Q 8.27 4.33 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.91 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 18 G 7.72 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 0.00 0.00 0.00 19 R 6.99 2.75 0.00 0.67 1.27 0.00 2.97 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 20 E 7.10 4.34 0.00 1.93 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 2.27 2.24 0.00 21 G 8.12 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.32 5.02 0.00 2.81 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 23 E 7.72 3.59 0.00 1.16 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 2.02 2.15 0.00 24 E 8.22 4.28 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.27 0.00 25 C 8.48 4.21 0.00 2.87 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.14 0.00 2.27 2.16 0.00 3.55 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 2.11 2.08 0.00 27 Y 7.19 4.83 0.00 3.00 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 28 L 7.33 4.56 0.00 1.78 1.63 1.09 1.00 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 29 D 8.65 4.53 0.00 2.78 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 30 S 8.87 4.22 0.00 3.98 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 31 Q 8.21 4.01 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 32 W 8.60 4.03 0.00 3.40 3.36 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 33 V 8.06 3.06 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 0.24 0.00 0.00 0.61 0.00 0.00 34 A 7.83 3.97 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 35 D 7.73 4.15 0.00 2.44 2.57 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 36 T 7.12 3.56 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 0.68 0.00 0.00 37 N 7.81 4.34 0.00 2.50 2.85 0.00 0.00 7.54 7.59 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 38 G 7.96 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 0.00 0.00 0.00 39 Q 7.63 4.79 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 40 R 8.28 4.34 0.00 1.96 1.78 0.00 3.19 0.00 0.00 3.37 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 *42 T 8.62 4.39 4.38 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 1.25 0.00 0.00 43 G 8.25 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 0.00 0.00 0.00 44 Q 8.27 5.45 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 45 G 9.07 4.74 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 0.00 0.00 0.00 46 V 8.29 5.05 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 0.63 0.00 0.00 0.92 0.00 0.00 47 D 9.22 4.93 0.00 2.83 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 48 T 8.51 4.58 4.29 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 1.26 0.00 0.00 49 R 8.31 3.92 0.00 1.51 1.61 0.00 2.96 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 50 F 7.24 4.79 0.00 3.28 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 51 D 9.48 4.53 0.00 2.63 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 52 T 7.80 4.46 4.29 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 1.07 0.00 0.00 53 P 0.00 4.84 0.00 2.07 2.11 0.00 3.87 0.00 0.00 3.94 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 54 A 9.01 4.41 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 C 9.17 5.19 0.00 2.71 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 56 V 8.33 4.55 1.65 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 -0.23 0.00 0.00 0.79 0.00 0.00 57 F 8.76 5.13 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 W 9.54 4.92 0.00 3.52 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 59 S 8.62 5.45 0.00 3.77 3.57 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 60 Y 8.60 4.33 0.00 3.15 3.13 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 61 P 0.00 4.48 0.00 2.13 1.92 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 0.00 62 E 8.85 4.10 0.00 2.00 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 0.00 2.36 2.29 0.00 63 A 7.84 4.23 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 64 P 0.00 3.99 0.00 1.69 0.62 0.00 3.68 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 1.69 1.47 0.00 65 Q 8.74 4.20 0.00 2.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.49 2.28 0.00 66 A 7.61 5.14 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 67 T 9.21 5.02 4.53 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 1.37 0.00 0.00 68 V 8.92 5.20 2.31 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 1.39 0.00 0.00 1.13 0.00 0.00 *70 V 8.14 4.24 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 0.83 0.00 0.00 0.75 0.00 0.00 71 R 9.28 5.07 0.00 1.77 1.90 0.00 3.36 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 72 H 9.69 5.03 0.00 3.04 3.10 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 P 0.00 4.48 0.00 2.09 2.18 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 75 S 7.37 4.61 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.57 4.12 0.00 2.01 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 2.34 2.31 0.00 77 E 8.22 3.96 0.00 2.10 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 2.36 2.45 0.00 78 E 8.31 4.00 0.00 2.20 2.03 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 2.32 2.48 0.00 79 A 8.08 4.09 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 80 I 8.23 3.73 2.01 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 1.40 0.77 0.95 0.00 0.00 81 R 7.89 3.88 0.00 1.98 2.10 0.00 2.86 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.29 0.00 82 V 7.92 4.02 2.44 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 1.25 0.00 0.00 1.18 0.00 0.00 83 V 7.86 3.64 2.25 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 1.07 0.00 0.00 1.04 0.00 0.00 84 D 8.66 4.52 0.00 2.92 2.77 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 0.00 0.00 0.00 85 W 8.52 4.37 0.00 3.66 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 86 A 8.21 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 A 7.90 4.48 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 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.68 0.00 2.20 2.02 0.00 3.87 0.00 0.00 3.82 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 89 I 8.49 3.70 1.88 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 1.49 0.74 0.91 0.00 0.00 90 D 8.00 4.72 0.00 2.76 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 91 T 7.99 4.58 4.25 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 1.22 0.00 0.00 92 T 7.64 4.89 4.45 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 1.18 0.00 0.00 93 E 8.78 4.73 0.00 2.03 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 2.40 2.25 0.00 94 P 0.00 4.86 0.00 1.95 2.01 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 95 A 8.62 4.63 0.65 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 0.00 0.00 96 E 8.77 5.28 0.00 1.95 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 2.20 2.21 0.00 97 E 8.06 4.85 0.00 1.98 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 2.29 2.28 0.00 98 P 0.00 4.59 0.00 2.29 2.17 0.00 3.25 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 99 D 8.57 4.62 0.00 2.76 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 0.00 100 G 9.25 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 0.00 101 W 8.14 4.87 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 0.00 102 S 8.39 5.08 0.00 3.82 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 0.00 103 G 8.00 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 0.00 104 G 8.68 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.50 5.18 0.00 1.93 1.85 0.00 2.94 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 106 A 8.34 4.55 1.17 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 0.00 0.00 107 G 8.45 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 0.00 0.00 0.00 0.00 108 H 9.14 5.25 0.00 3.02 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.97 4.23 0.00 2.08 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 0.00 2.29 2.25 0.00 110 E 8.01 4.04 0.00 1.99 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 0.00 2.32 2.37 0.00 111 G 6.79 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 0.00 112 A 8.84 5.34 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 0.00 113 V 8.91 4.82 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 0.59 0.00 0.00 0.35 0.00 0.00 114 Y 8.65 4.82 0.00 2.96 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 0.00 115 A 8.72 4.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.89 5.01 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 0.56 0.00 0.00 0.97 0.00 0.00 117 Q 9.38 5.34 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 118 K 8.29 3.85 0.00 0.79 0.74 0.00 1.36 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.77 0.92 7.81 119 G 8.61 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 0.00 120 P 0.00 4.74 0.00 2.18 2.14 0.00 3.66 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 121 V 7.60 4.53 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 0.83 0.00 0.00 122 A 9.05 5.48 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 0.00 123 V 9.00 4.58 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 0.79 0.00 0.00 0.75 0.00 0.00 124 V 8.28 4.63 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 -0.82 0.00 0.00 0.82 0.00 0.00 125 V 8.47 4.75 2.03 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 1.04 0.00 0.00 0.92 0.00 0.00 126 W 9.29 5.22 0.00 3.29 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 0.00 127 S 9.11 5.25 0.00 3.80 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 0.00 128 N 9.03 4.70 0.00 2.71 3.02 0.00 0.00 6.91 7.83 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 0.00 129 Q 8.41 4.46 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 130 Q 8.39 4.34 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.93 0.00 0.00 0.00 0.00 0.00 2.59 2.37 0.00 131 Q 7.74 4.50 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 132 S 8.54 4.20 0.00 4.08 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 7.96 3.85 0.00 1.74 1.66 0.86 0.72 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 0.00 134 K 7.70 3.78 0.00 1.86 1.72 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.36 7.81 135 A 7.77 4.05 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 0.00 136 E 8.23 2.61 0.00 1.72 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 1.97 1.48 0.00 137 L 7.68 4.02 0.00 1.84 1.78 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *139 A 7.91 4.18 1.17 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 0.00 0.00 140 K 7.76 3.71 0.00 1.83 1.75 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.30 7.81 141 E 8.25 3.68 0.00 1.93 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 1.86 0.00 142 A 7.88 4.07 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 0.00 143 I 7.66 3.39 1.63 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.19 0.63 0.00 0.00 144 A 7.93 3.90 1.29 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 0.00 0.00 145 R 7.98 3.88 0.00 1.85 2.05 0.00 3.26 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 146 L 8.20 4.25 0.00 1.50 1.60 0.11 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 147 G 7.65 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 0.00 0.00 0.00 148 L 7.91 4.33 0.00 1.87 2.00 0.92 0.90 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 * Residues marked with a * may have inaccurate shift predictions.