NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *28 K 4.3612 8.2993 122.1463 53.1406 34.6278 174.6577 29 V 4.5973 7.5152 118.4000 58.7948 34.4127 169.2372 30 V 4.5359 9.2335 124.4134 60.9735 34.9301 175.0978 31 K 5.2578 8.8692 128.6325 54.7720 35.1603 174.6324 32 F 5.1641 8.6021 120.9482 56.3406 41.8890 172.4915 33 S 4.8288 8.5779 112.6204 57.4331 66.2958 172.6707 34 Y 4.5686 8.2453 120.6538 56.2995 42.2024 172.8649 35 M 4.9076 7.9378 126.1993 53.5988 34.2030 174.3917 36 W 4.8605 9.1132 135.0000 56.1258 33.0619 174.2475 37 T 4.8334 8.7715 124.4208 62.1104 69.7647 174.2300 38 I 4.2377 8.6065 128.4986 59.5874 38.6588 175.2442 39 N 4.7700 8.8376 124.7028 52.8765 39.9629 174.6040 40 N 4.5999 8.7825 114.8247 53.0813 36.6662 176.5158 41 F 4.0955 8.7084 122.2286 61.2782 39.8611 177.0709 42 S 4.0721 8.4819 114.2178 60.6488 62.7222 175.0382 43 F 4.2386 7.8571 118.2145 57.9862 39.1621 175.7197 44 C 3.7794 7.4464 118.7499 60.8667 28.0701 173.9569 45 R 4.4254 8.4187 121.9196 55.6662 30.2319 176.3158 46 E 4.1324 7.9995 118.5545 56.9560 29.8907 176.8831 47 E 4.4126 9.2023 123.7788 54.4756 31.3139 175.0708 48 M 4.3750 7.8682 118.2732 57.1173 32.1800 176.1890 49 G 4.0640 9.2188 115.1868 45.3263 0.0000 173.5131 50 E 4.3900 8.2179 119.8868 55.7340 30.4264 175.7075 51 V 4.8242 8.1500 120.6817 60.0327 34.6403 174.6224 52 I 4.6957 9.0146 123.5456 59.6753 39.7992 174.5997 53 K 5.1213 8.7753 126.1847 54.6374 34.1631 176.4841 54 S 4.1007 7.9485 119.5991 57.2670 64.1630 173.8831 55 S 4.4293 8.3038 116.1434 58.7077 63.2408 174.6929 56 T 4.4560 8.2406 112.2114 61.7957 69.9108 173.3252 57 F 5.1365 8.6446 117.7051 56.0812 42.1643 172.8003 58 S 4.6260 8.4117 112.7295 57.5905 65.3288 173.7761 59 S 3.7435 8.2354 115.7179 61.5060 62.8344 175.4433 *63 D 4.4431 7.6609 120.4437 51.5587 41.4103 178.5574 *64 K 4.4198 7.5734 128.0289 52.3992 30.4020 177.9546 65 L 4.6892 7.2798 118.9491 53.4851 43.8517 176.2903 66 K 4.6189 8.3387 121.5076 54.3459 35.8194 175.4027 67 W 5.0730 8.7417 123.7866 54.9916 33.3029 173.9207 68 C 4.8955 8.8194 115.4660 57.1826 33.2044 172.7003 69 L 5.1133 8.4921 119.2971 53.4070 44.2906 175.8978 70 R 5.2965 8.7271 120.9974 54.9659 33.8112 174.1143 71 V 5.0840 9.5373 125.6391 60.1349 35.2140 174.4958 72 N 5.3985 9.0921 121.1091 50.3813 39.1785 173.7762 73 P 4.5306 0.0000 0.0000 64.7350 31.7366 177.6561 74 K 4.5333 8.0285 117.3758 55.8626 32.9958 177.0281 75 G 4.3572 8.1502 104.1742 45.0177 0.0000 175.3043 76 L 4.0787 8.5259 120.6675 57.4317 42.6261 175.6604 77 D 4.6471 8.0437 116.0887 52.1627 42.4062 175.1626 78 E 3.9421 8.9762 118.8776 59.5300 29.5529 178.6270 79 E 4.0056 7.8958 118.3391 58.3909 29.9787 177.3409 80 S 4.9428 8.2914 114.4503 58.4411 63.2570 176.7036 81 K 4.2501 7.8726 124.8199 58.0293 31.5410 181.0093 82 D 4.7946 8.2596 115.6274 54.8466 41.0080 174.9391 83 Y 5.2567 7.9603 116.3302 55.9228 42.1796 175.0972 84 L 4.7091 8.9993 121.8842 54.9328 43.1976 176.1375 85 S 5.4518 8.9055 119.3385 57.0151 65.5635 172.8336 86 L 4.9549 8.7078 125.6393 53.6187 45.1794 174.7228 87 Y 5.2473 9.0539 122.7175 56.1879 42.8509 173.7693 88 L 5.0745 9.1586 124.2833 53.5488 44.3230 174.7508 89 L 5.2901 9.1179 128.5879 53.1969 45.0409 174.7603 90 L 3.7972 8.8053 128.8128 54.2221 42.2802 177.0505 91 V 3.6020 8.1708 127.8672 65.2362 32.3495 176.6235 92 S 4.7790 7.3036 114.9632 56.9367 67.2619 173.2508 93 C 4.5889 8.7384 125.9651 58.4456 34.4090 172.7780 *94 P 4.3253 0.0000 0.0000 65.2668 30.6943 174.0339 *95 K 4.4532 7.7740 121.0648 53.9277 32.8771 180.1574 96 S 4.3444 8.6666 115.5652 63.1747 62.2509 173.4619 97 E 5.2545 7.5848 115.3831 55.4603 33.6444 177.0758 98 V 4.6937 9.0796 118.4856 60.9328 35.0877 174.3134 99 R 5.4599 8.7823 121.1478 54.8065 32.6576 174.9695 100 A 5.1034 9.3500 124.2816 50.6162 23.0855 175.2970 101 K 4.8967 9.0064 121.2247 55.4427 34.5633 175.7808 102 F 5.3532 8.0966 116.6381 55.5662 42.0262 173.0881 103 K 4.9430 9.0722 120.2583 54.9634 35.7610 174.8045 104 F 5.9160 9.2361 125.7214 56.0953 42.4875 174.4336 105 S 5.3660 9.5628 116.0515 57.4612 67.3939 172.2706 106 I 4.9992 8.8279 120.6967 59.6073 39.4165 175.1773 107 L 4.9702 8.6961 127.4654 53.8886 42.9276 176.9489 108 N 4.6744 8.7885 120.9899 51.4573 39.3766 175.4829 109 A 3.8983 8.6040 122.3723 55.3703 18.3803 179.0662 110 K 4.2310 8.2229 115.1651 54.1628 32.1877 182.7166 111 G 3.8853 8.3955 109.1361 47.0295 0.0000 174.5123 112 E 4.1967 8.1568 116.5921 55.0741 30.4874 180.7565 113 E 4.6016 8.4658 122.6125 55.8993 30.4724 176.1695 114 T 4.6280 8.5411 116.6912 60.8833 70.9591 172.9146 115 K 3.7616 8.5184 120.4089 57.2900 29.5664 175.6974 116 A 4.7450 7.8548 118.5232 52.0962 19.7881 177.9793 117 M 4.6560 9.3687 122.3210 54.0414 35.7786 175.3115 118 E 5.1702 8.4090 119.2408 54.3571 32.7954 174.5955 119 S 4.0833 8.4512 117.1721 58.2799 63.5859 175.3149 120 Q 4.1983 8.5986 121.2524 57.2635 29.0404 175.0619 121 R 4.6226 7.0502 111.0984 54.5895 32.9466 174.4406 122 A 4.3939 8.3429 120.8984 52.1965 19.2503 176.5783 123 Y 4.0334 9.1481 118.8797 55.8675 41.2579 175.2428 124 R 4.8795 8.3079 123.0415 55.9293 30.7409 175.3681 125 F 5.1206 9.7903 126.4822 56.3161 41.5415 175.6329 126 V 4.8761 8.2270 114.2519 58.8171 36.1350 174.7450 127 Q 3.9560 8.5469 122.7872 58.2525 28.8788 176.6452 128 G 3.8533 9.5588 114.1891 44.9149 0.0000 172.3305 129 K 4.5375 8.0263 121.7116 54.5905 34.0684 174.9981 130 D 5.8024 8.2284 125.2991 51.7176 42.6506 175.0057 131 W 5.0692 8.7658 117.9383 55.0397 33.6792 175.4781 132 G 3.7159 7.7753 109.0834 46.3111 0.0000 172.3440 133 F 4.7811 7.8526 121.8606 55.3192 41.1700 176.0089 134 K 4.0300 8.9721 127.8463 58.5250 32.8157 177.1330 135 K 4.4711 7.5983 116.1590 54.8648 32.0469 175.4630 136 F 4.4760 8.9228 124.1336 60.8763 40.3720 175.2075 137 I 4.4233 7.5702 118.3364 58.2446 40.9159 173.2001 138 R 3.9163 8.5471 127.0123 56.0742 31.1783 177.5419 139 R 4.1087 8.7733 126.3180 59.5525 29.9875 179.4053 140 G 3.6171 7.9198 103.4648 46.8201 0.0000 175.1118 141 F 4.3563 8.0165 122.7232 61.0138 39.5545 177.1196 142 L 3.6824 7.7853 118.4622 57.9251 42.0408 178.2681 143 L 4.4476 7.8516 116.2438 54.7769 42.1107 176.4588 144 D 4.4608 7.5862 122.9182 53.4588 40.7435 177.2555 *145 E 4.0468 8.6473 124.0036 58.4501 30.0429 175.9517 146 A 4.0316 7.6875 119.5571 55.5227 18.4109 178.3393 147 N 4.3407 7.9127 111.8724 54.0477 38.6040 175.8421 148 G 3.8271 7.9614 106.2854 46.5056 0.0000 174.2703 149 L 4.5206 7.8223 116.5900 54.1821 43.1474 176.5694 150 L 5.3223 7.5060 117.4572 51.7351 42.4025 174.8360 151 P 4.3960 0.0000 0.0000 64.6990 32.1973 177.4139 152 D 4.2896 9.5216 120.1635 54.0966 36.8398 170.1335 153 D 4.5787 8.3090 115.9953 55.9427 40.4412 172.3820 154 K 4.9482 7.8553 116.1731 53.9799 34.9686 174.8777 155 L 4.6090 8.6337 127.0107 53.7777 43.9314 174.9992 156 T 4.9139 8.3691 122.7862 61.9643 70.9528 173.1297 157 L 5.1626 8.9414 127.3121 53.1591 44.6305 175.5349 158 F 5.3443 9.3790 123.9109 56.6520 42.8021 172.9702 159 C 5.4299 8.5554 126.0823 57.5748 34.7052 172.1802 160 E 4.7799 9.0870 124.9105 54.3866 32.6380 175.0479 161 V 4.5769 8.3715 123.6040 60.9575 35.1693 174.2595 162 S 5.0352 8.9278 122.8564 56.7249 66.4658 172.9014 163 V 4.8867 9.2552 127.7568 61.0706 33.4241 176.6148 *164 V 4.1479 8.4140 125.9954 61.5291 32.0158 171.9792 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 *28 K 8.30 4.36 0.00 1.79 1.70 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 29 V 7.52 4.60 2.11 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 0.86 0.00 0.00 0.96 0.00 0.00 30 V 9.23 4.54 2.24 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 0.95 0.00 0.00 1.00 0.00 0.00 31 K 8.87 5.26 0.00 1.78 1.67 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.48 7.81 32 F 8.60 5.16 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.58 4.83 0.00 3.18 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 34 Y 8.25 4.57 0.00 1.51 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 M 7.94 4.91 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 36 W 9.11 4.86 0.00 3.47 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 37 T 8.77 4.83 4.27 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 1.19 0.00 0.00 38 I 8.61 4.24 1.65 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 -0.36 1.00 0.00 0.00 39 N 8.84 4.77 0.00 2.65 2.78 0.00 0.00 7.28 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 40 N 8.78 4.60 0.00 2.96 3.00 0.00 0.00 7.24 8.13 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 41 F 8.71 4.10 0.00 3.07 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 42 S 8.48 4.07 0.00 3.77 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 43 F 7.86 4.24 0.00 3.26 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 44 C 7.45 3.78 0.00 2.58 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.42 4.43 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 46 E 8.00 4.13 0.00 1.93 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 2.44 0.00 47 E 9.20 4.41 0.00 1.99 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 2.28 2.38 0.00 48 M 7.87 4.37 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 49 G 9.22 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.22 4.39 0.00 2.20 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 2.33 2.26 0.00 51 V 8.15 4.82 2.14 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 0.78 0.00 0.00 1.09 0.00 0.00 52 I 9.01 4.70 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 1.22 0.00 0.00 53 K 8.78 5.12 0.00 1.63 1.64 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 54 S 7.95 4.10 0.00 2.72 2.63 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 55 S 8.30 4.43 0.00 3.84 3.86 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 56 T 8.24 4.46 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 1.09 0.00 0.00 57 F 8.64 5.14 0.00 3.04 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 0.00 0.00 0.00 58 S 8.41 4.63 0.00 3.79 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 59 S 8.24 3.74 0.00 3.78 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 *63 D 7.66 4.44 0.00 2.75 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 *64 K 7.57 4.42 0.00 1.84 1.98 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.20 0.97 7.81 65 L 7.28 4.69 0.00 1.45 1.28 0.86 0.87 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 66 K 8.34 4.62 0.00 1.43 1.44 0.00 1.50 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.23 7.81 67 W 8.74 5.07 0.00 1.78 2.45 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 68 C 8.82 4.90 0.00 2.86 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 69 L 8.49 5.11 0.00 0.97 1.56 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.73 5.30 0.00 1.89 1.80 0.00 2.98 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 71 V 9.54 5.08 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 0.98 0.00 0.00 1.14 0.00 0.00 72 N 9.09 5.40 0.00 2.82 3.02 0.00 0.00 6.89 8.83 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 73 P 0.00 4.53 0.00 2.01 2.03 0.00 3.69 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 2.03 2.23 0.00 74 K 8.03 4.53 0.00 1.81 1.80 0.00 1.96 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81 75 G 8.15 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 0.00 0.00 0.00 0.00 76 L 8.53 4.08 0.00 1.80 1.83 0.91 1.16 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 77 D 8.04 4.65 0.00 2.97 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 78 E 8.98 3.94 0.00 2.10 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 2.41 2.41 0.00 79 E 7.90 4.01 0.00 2.09 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 2.37 2.29 0.00 80 S 8.29 4.94 0.00 4.30 4.09 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 81 K 7.87 4.25 0.00 1.77 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.29 7.81 82 D 8.26 4.79 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.96 5.26 0.00 3.07 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 84 L 9.00 4.71 0.00 1.93 1.84 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.91 5.45 0.00 4.03 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 86 L 8.71 4.95 0.00 1.47 1.14 0.83 -0.17 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 87 Y 9.05 5.25 0.00 2.89 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 88 L 9.16 5.07 0.00 1.93 1.65 1.05 0.02 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 89 L 9.12 5.29 0.00 1.77 1.62 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.81 3.80 0.00 1.25 1.59 -0.69 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.17 3.60 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 0.67 0.00 0.00 0.80 0.00 0.00 92 S 7.30 4.78 0.00 3.55 3.52 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 93 C 8.74 4.59 0.00 2.66 2.62 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 *94 P 0.00 4.33 0.00 2.13 1.95 0.00 3.79 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 1.94 1.58 0.00 *95 K 7.77 4.45 0.00 1.77 1.64 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.00 7.81 96 S 8.67 4.34 0.00 3.62 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 97 E 7.58 5.25 0.00 1.70 1.68 0.00 0.00 0.00 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 1.87 0.00 98 V 9.08 4.69 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 1.08 0.00 0.00 1.07 0.00 0.00 99 R 8.78 5.46 0.00 1.86 1.94 0.00 3.14 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 100 A 9.35 5.10 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 0.00 101 K 9.01 4.90 0.00 1.69 1.62 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.37 7.81 102 F 8.10 5.35 0.00 2.95 2.98 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 0.00 103 K 9.07 4.94 0.00 1.74 1.61 0.00 1.58 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.50 7.81 104 F 9.24 5.92 0.00 3.00 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 0.00 0.00 0.00 105 S 9.56 5.37 0.00 4.13 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.83 5.00 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 0.93 0.00 0.00 107 L 8.70 4.97 0.00 1.49 1.53 0.75 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.79 4.67 0.00 2.92 2.98 0.00 0.00 6.63 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.60 3.90 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 0.00 110 K 8.22 4.23 0.00 1.78 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 0.99 7.81 111 G 8.40 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 E 8.16 4.20 0.00 1.93 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 2.24 2.15 0.00 113 E 8.47 4.60 0.00 1.97 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 2.34 2.20 0.00 114 T 8.54 4.63 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 1.29 0.00 0.00 115 K 8.52 3.76 0.00 1.84 1.61 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.37 7.81 116 A 7.85 4.75 1.26 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 0.00 117 M 9.37 4.66 0.00 0.51 1.21 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 118 E 8.41 5.17 0.00 1.69 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 0.00 2.11 1.84 0.00 119 S 8.45 4.08 0.00 3.57 2.63 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 0.00 120 Q 8.60 4.20 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 121 R 7.05 4.62 0.00 1.52 1.73 0.00 2.66 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.00 122 A 8.34 4.39 1.26 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 0.00 123 Y 9.15 4.03 0.00 2.58 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.31 4.88 0.00 1.86 1.98 0.00 3.27 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 125 F 9.79 5.12 0.00 3.29 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 0.00 126 V 8.23 4.88 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 0.91 0.00 0.00 0.94 0.00 0.00 127 Q 8.55 3.96 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 128 G 9.56 3.85 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 0.00 0.00 0.00 129 K 8.03 4.54 0.00 1.87 1.95 0.00 1.02 0.00 0.00 1.48 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 0.98 7.81 130 D 8.23 5.80 0.00 2.84 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 0.00 131 W 8.77 5.07 0.00 2.96 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 0.00 132 G 7.78 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 0.00 133 F 7.85 4.78 0.00 3.28 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 0.00 134 K 8.97 4.03 0.00 1.86 1.90 0.00 1.89 0.00 0.00 2.08 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.65 7.81 135 K 7.60 4.47 0.00 1.41 0.74 0.00 1.09 0.00 0.00 1.28 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.66 1.14 7.81 136 F 8.92 4.48 0.00 3.26 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 I 7.57 4.42 1.50 0.00 0.00 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 1.41 1.01 1.07 0.00 0.00 138 R 8.55 3.92 0.00 1.83 1.80 0.00 3.21 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 139 R 8.77 4.11 0.00 1.85 1.99 0.00 3.35 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 1.75 1.81 0.00 140 G 7.92 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 0.00 0.00 0.00 141 F 8.02 4.36 0.00 3.11 3.20 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 0.00 142 L 7.79 3.68 0.00 1.76 1.73 0.82 0.77 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 0.00 143 L 7.85 4.45 0.00 1.72 1.67 0.92 0.97 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 0.00 144 D 7.59 4.46 0.00 2.53 2.39 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 *145 E 8.65 4.05 0.00 1.93 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 2.31 1.88 0.00 146 A 7.69 4.03 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 0.00 147 N 7.91 4.34 0.00 2.31 2.38 0.00 0.00 7.02 7.07 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 0.00 148 G 7.96 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 0.00 0.00 0.00 149 L 7.82 4.52 0.00 1.47 1.63 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.51 5.32 0.00 1.61 1.56 1.02 1.01 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 0.00 151 P 0.00 4.40 0.00 2.20 2.17 0.00 4.02 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 2.04 1.93 0.00 152 D 9.52 4.29 0.00 2.86 2.63 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 0.00 153 D 8.31 4.58 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 K 7.86 4.95 0.00 1.84 1.66 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.54 7.81 155 L 8.63 4.61 0.00 1.08 1.06 0.66 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.37 4.91 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 1.21 0.00 0.00 157 L 8.94 5.16 0.00 1.68 1.61 0.72 0.65 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 0.00 158 F 9.38 5.34 0.00 3.04 2.94 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 0.00 159 C 8.56 5.43 0.00 3.02 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 0.00 160 E 9.09 4.78 0.00 1.83 1.67 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 1.97 1.90 0.00 161 V 8.37 4.58 0.67 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 0.22 0.00 0.00 0.45 0.00 0.00 162 S 8.93 5.04 0.00 3.71 3.69 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 0.00 163 V 9.26 4.89 2.27 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 1.37 0.00 0.00 1.20 0.00 0.00 *164 V 8.41 4.15 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 0.79 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.