NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.6876 8.3033 120.3887 55.6026 31.2062 173.3836 13 R 3.6003 8.0047 123.3905 58.9206 29.7632 177.1466 14 R 3.8702 8.7306 119.0354 59.9086 30.3747 177.8623 15 D 4.3298 8.0520 117.7036 57.3956 40.8687 178.5379 16 L 3.9655 7.7757 119.0589 57.9299 41.5753 179.4471 17 C 4.1119 8.0500 116.5187 62.9131 28.0595 176.0878 18 S 4.1790 8.2223 116.8013 62.0259 62.4267 177.2481 19 R 4.0953 8.2205 120.5030 59.3261 29.7278 179.3709 20 S 4.1584 8.3582 115.1414 61.5717 62.8075 176.7740 21 I 3.8256 8.3300 122.8653 64.3449 36.8611 178.3249 22 W 4.1434 8.7430 129.5486 60.3162 30.4004 177.6898 23 L 3.6939 8.6671 120.6115 57.9152 41.5208 178.8009 24 A 3.8757 8.2256 120.7746 55.3506 18.2866 179.8773 25 R 3.7543 7.9820 116.5516 58.9645 30.0075 179.2156 26 K 3.4961 7.6106 119.7550 59.3496 32.1114 178.8390 27 I 3.5266 7.6714 120.2353 64.3820 36.8093 178.3793 28 R 3.7719 7.7086 118.1124 59.2909 30.1417 178.1173 29 S 4.1614 8.2034 113.1826 61.5408 62.4252 175.7463 30 D 4.3124 8.0476 121.4749 57.5658 40.6254 178.9634 31 L 3.9660 7.9416 118.9701 57.7321 41.0523 179.8106 32 T 3.7616 7.6809 115.4148 66.4944 68.4322 176.3539 33 A 4.0003 7.8329 121.8699 55.2107 18.5202 178.9934 34 L 3.9592 7.9645 118.7659 58.8974 42.0890 179.3758 35 T 3.9301 7.9179 115.3960 66.6152 68.3030 176.4630 36 E 3.9934 7.9023 119.2410 59.6012 29.4685 179.3943 37 S 4.0672 8.1387 113.1015 61.3130 62.2111 175.6993 38 Y 3.7669 8.3825 122.7027 60.6171 38.4826 177.7614 39 V 3.6162 8.0215 119.2304 65.8069 31.5914 177.8915 40 K 3.9752 8.1844 119.2789 59.8718 31.9850 178.2145 41 H 4.3102 7.9722 112.0523 56.7466 28.3632 175.7203 42 Q 4.2276 7.3609 117.8541 54.9085 30.1428 175.8859 43 G 4.2974 8.0809 113.2031 45.3486 0.0000 175.2630 44 L 3.9194 7.0593 112.7495 55.5554 39.6968 180.0476 *66 E 3.9503 8.8355 120.5835 55.8532 29.4788 174.2471 67 L 4.6109 7.8534 125.1843 52.2349 46.0743 176.5335 68 T 4.1349 8.2137 113.7839 61.2857 70.6768 174.8839 69 E 3.9963 9.0657 124.1915 59.9112 29.5175 179.0431 70 A 3.3257 8.1150 119.7488 55.1865 18.1876 178.8467 71 E 3.8344 7.6086 117.1351 59.5445 29.5813 179.3897 72 R 3.9227 8.0580 117.8317 59.2288 30.2036 178.7939 73 L 4.0164 8.0676 119.0727 58.0679 41.7044 179.7105 74 Q 4.0383 8.3243 117.6573 59.4868 28.3814 178.5343 75 E 4.1449 8.2049 120.2351 59.1935 29.6410 179.0182 76 N 4.6557 8.3243 116.4426 56.0610 38.6381 177.2486 77 L 4.0054 8.0390 121.8453 58.2051 42.2396 178.7997 78 Q 3.9135 8.1134 119.2393 59.0877 29.0295 177.9213 79 A 3.5039 7.7638 121.6782 55.4686 18.1788 179.3463 80 Y 4.0944 8.0738 114.6059 60.9178 37.8961 178.8198 81 R 3.9579 8.2390 119.3354 59.4560 30.1548 179.0641 82 T 3.7425 7.9229 115.4507 66.7665 68.4335 176.4123 83 F 4.0093 8.1367 119.9064 61.0906 38.8229 177.4492 84 H 4.0770 8.4870 117.5834 59.3838 29.7190 177.6115 85 V 3.6328 7.7342 119.4686 65.8030 31.2641 178.0183 86 L 4.2869 8.0648 119.1181 57.6445 41.4446 179.3164 87 L 3.9972 8.3940 119.2786 57.4760 41.4388 179.3530 88 A 3.9466 8.1668 120.9744 55.1429 18.2208 179.6451 89 R 3.8681 8.0508 117.2435 59.5829 30.0308 178.4256 90 L 4.1941 8.5814 120.6029 58.0448 42.0292 178.7944 91 L 3.9594 8.3190 120.7067 58.2087 41.8800 178.4189 92 E 4.0023 8.2743 117.6170 60.0710 29.5435 179.1577 93 D 4.5513 7.8162 117.1876 57.3044 40.9208 178.5476 94 Q 4.3578 7.7262 118.1643 57.9369 29.9668 176.6154 95 Q 4.3314 8.1336 122.1753 56.7314 27.1097 174.8826 *102 E 4.1729 8.1240 124.4962 55.3257 31.3280 175.8671 103 G 3.6022 8.4412 104.4551 48.1845 0.0000 175.4548 104 D 4.4432 8.0852 121.5427 56.6122 41.0888 178.6113 105 F 4.1368 8.3143 120.6515 61.7332 39.3736 176.8078 106 H 3.9572 8.3004 115.5164 58.6047 28.4138 177.5196 107 Q 3.9539 7.9955 120.7761 59.2471 28.9149 178.2832 108 A 3.9351 8.2086 122.0288 55.2216 18.2697 179.7291 109 I 3.5132 7.2858 117.8745 64.4880 37.0990 178.3544 110 H 4.2641 8.1276 117.5919 59.1485 28.5999 177.9852 111 T 3.9249 8.2632 111.9900 64.6599 68.5326 176.3373 112 L 3.8940 7.8255 123.2213 57.8409 42.0305 178.9947 113 L 3.9798 8.1525 119.4057 57.7787 41.4936 179.5055 114 L 4.0361 8.0776 118.9839 57.7962 41.4659 179.5933 115 Q 4.0525 8.2418 118.1847 58.7498 28.6105 178.8957 116 V 3.6830 7.8618 119.1065 65.9779 31.6581 177.8946 117 A 3.6043 8.1504 120.3362 55.0861 18.2557 179.4531 118 A 3.9210 8.2507 119.6195 55.0260 18.3937 179.6060 119 F 3.8525 8.4855 119.0895 61.5074 39.5354 177.1386 120 A 4.0362 8.0589 120.3160 55.6037 18.1164 179.2496 121 Y 4.4164 7.8677 115.0923 61.3061 37.8039 178.5950 122 Q 4.0651 7.9737 118.9563 58.6057 28.7300 178.5781 123 I 3.5663 7.5287 121.1176 64.0793 37.0726 178.1824 124 E 3.9690 8.2812 119.4561 59.6220 29.3637 179.2536 125 E 3.9718 8.1574 118.4902 59.3646 29.4818 179.2854 126 L 3.9613 8.1084 120.5278 58.2555 42.0835 178.9154 127 M 4.2343 8.3724 118.9419 58.5722 31.8340 178.6351 128 I 3.8332 7.7651 119.8962 64.5370 37.0842 178.2297 129 L 3.9908 7.7553 119.7508 57.4119 41.9219 177.6373 130 L 4.4261 7.6497 117.4539 54.3414 43.2223 176.0286 131 E 3.7660 7.6293 115.3018 57.8865 27.7107 174.4016 132 Y 5.0111 7.9208 114.2388 56.0487 40.6805 175.6127 133 K 4.4512 8.6846 124.6118 55.0676 33.5273 175.7709 134 I 4.4559 8.0292 119.2775 58.6782 39.8204 176.2164 135 P 4.6090 0.0000 0.0000 63.0198 31.3043 176.6644 136 R 4.5506 8.1990 120.6227 55.9936 33.0458 171.8719 137 N 4.6224 8.4543 121.8991 51.2591 38.9159 173.8699 *154 K 4.3742 8.5667 116.9394 56.8389 33.7111 178.4005 155 K 4.1838 8.1392 117.3410 58.9578 32.3468 177.7193 156 L 4.3625 7.9784 120.1030 56.9507 42.3559 177.8647 157 W 4.3586 8.5072 128.2665 60.5700 30.6417 177.9184 158 G 3.6109 8.0985 106.1293 47.2216 0.0000 175.4215 159 L 3.7005 7.8581 122.4208 57.4734 42.1148 179.0968 160 K 4.0107 7.8750 118.6389 59.2060 31.9156 179.2596 161 V 3.3182 7.1904 118.4039 65.9906 31.3329 177.9768 162 L 3.7474 7.3451 118.0073 57.8946 41.4503 179.6091 163 Q 3.9297 7.8141 117.7825 59.1114 28.6950 178.8214 164 E 4.1127 8.7500 119.5093 58.6638 29.5812 179.2083 165 L 2.8022 7.7694 121.0755 57.6711 41.8802 178.5960 166 S 3.9505 7.9559 112.2670 61.3746 62.1711 175.5518 167 Q 4.0583 8.0563 122.1207 59.2037 28.8321 178.5557 168 W 3.9170 8.1341 119.9842 59.5058 28.9813 178.5102 169 T 3.9147 7.8348 109.9081 64.9443 68.0475 176.5173 170 V 3.5467 7.2842 120.8131 65.6182 31.4724 178.0003 171 R 3.7921 7.7811 117.8724 59.3633 29.8602 178.2631 172 S 4.3042 8.2779 114.9386 61.9358 62.9532 176.6197 173 I 3.7608 7.9223 122.2244 64.8153 36.9283 177.9507 174 H 4.1862 8.1141 118.2186 59.5258 29.7393 177.0483 175 D 4.2817 8.3016 120.7541 57.4165 40.5003 178.8458 176 L 4.1835 8.4164 119.6900 57.6334 41.3940 179.6984 177 R 4.0076 7.8918 117.6298 59.1154 30.0337 178.4886 178 F 4.2872 7.9648 119.4203 61.2490 39.4316 177.0731 179 I 3.8863 7.5816 118.4814 64.0663 36.9797 176.7651 180 S 4.4039 7.6988 119.7249 58.9365 62.8587 174.0581 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 12 H 8.30 4.69 0.00 3.21 3.24 0.00 5.87 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 13 R 8.00 3.60 0.00 1.77 1.90 0.00 3.17 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 14 R 8.73 3.87 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 15 D 8.05 4.33 0.00 2.88 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 16 L 7.78 3.97 0.00 1.81 1.67 0.92 0.70 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 17 C 8.05 4.11 0.00 3.18 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 18 S 8.22 4.18 0.00 4.01 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 19 R 8.22 4.10 0.00 2.01 2.06 0.00 3.19 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 20 S 8.36 4.16 0.00 3.96 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 21 I 8.33 3.83 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.03 1.01 0.00 0.00 22 W 8.74 4.14 0.00 3.44 3.49 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 23 L 8.67 3.69 0.00 2.36 2.10 1.11 1.25 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 A 8.23 3.88 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 25 R 7.98 3.75 0.00 1.78 1.87 0.00 3.18 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 26 K 7.61 3.50 0.00 1.01 1.37 0.00 1.72 0.00 0.00 1.41 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.50 0.55 7.81 27 I 7.67 3.53 1.89 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 1.31 0.70 0.72 0.00 0.00 28 R 7.71 3.77 0.00 1.71 2.00 0.00 3.22 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 29 S 8.20 4.16 0.00 3.90 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 30 D 8.05 4.31 0.00 2.87 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 31 L 7.94 3.97 0.00 1.77 1.63 0.80 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.68 3.76 4.33 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 1.20 0.00 0.00 33 A 7.83 4.00 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 34 L 7.96 3.96 0.00 1.74 1.66 0.75 0.60 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 35 T 7.92 3.93 4.43 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 1.22 0.00 0.00 36 E 7.90 3.99 0.00 2.26 2.02 0.00 0.00 0.00 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 2.50 0.00 37 S 8.14 4.07 0.00 3.98 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 38 Y 8.38 3.77 0.00 3.33 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 39 V 8.02 3.62 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 0.96 0.00 0.00 1.06 0.00 0.00 40 K 8.18 3.98 0.00 2.01 1.94 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.49 7.81 41 H 7.97 4.31 0.00 2.56 2.89 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.36 4.23 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 43 G 8.08 4.30 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 0.00 44 L 7.06 3.92 0.00 1.76 0.93 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *66 E 8.84 3.95 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 2.18 2.29 0.00 67 L 7.85 4.61 0.00 1.48 1.45 0.77 0.94 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 68 T 8.21 4.13 4.30 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 1.25 0.00 0.00 69 E 9.07 4.00 0.00 2.23 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 0.00 2.63 2.59 0.00 70 A 8.12 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.61 3.83 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 72 R 8.06 3.92 0.00 2.12 2.09 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 73 L 8.07 4.02 0.00 1.74 1.71 1.05 0.87 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 74 Q 8.32 4.04 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 75 E 8.20 4.14 0.00 2.35 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 2.44 2.57 0.00 76 N 8.32 4.66 0.00 3.15 3.15 0.00 0.00 6.59 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 77 L 8.04 4.01 0.00 1.80 1.84 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.11 3.91 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 79 A 7.76 3.50 0.09 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 0.00 0.00 80 Y 8.07 4.09 0.00 3.24 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 81 R 8.24 3.96 0.00 2.02 1.99 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 82 T 7.92 3.74 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 83 F 8.14 4.01 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.49 4.08 0.00 3.31 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.73 3.63 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 1.02 0.00 0.00 1.03 0.00 0.00 86 L 8.06 4.29 0.00 1.87 1.54 1.02 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.39 4.00 0.00 1.75 1.62 0.78 0.77 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 88 A 8.17 3.95 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 89 R 8.05 3.87 0.00 2.17 2.37 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 90 L 8.58 4.19 0.00 2.03 1.92 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.32 3.96 0.00 1.85 1.90 0.71 0.86 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 92 E 8.27 4.00 0.00 2.17 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 2.68 2.56 0.00 93 D 7.82 4.55 0.00 2.70 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 4.36 0.00 2.19 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.30 0.00 0.00 0.00 0.00 0.00 2.90 2.85 0.00 95 Q 8.13 4.33 0.00 2.17 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.44 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 *102 E 8.12 4.17 0.00 2.18 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 0.00 2.31 2.33 0.00 103 G 8.44 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.09 4.44 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 0.00 105 F 8.31 4.14 0.00 3.12 3.25 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 0.00 106 H 8.30 3.96 0.00 3.30 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.00 3.95 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 108 A 8.21 3.94 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 0.00 109 I 7.29 3.51 1.64 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.30 0.74 0.00 0.00 110 H 8.13 4.26 0.00 3.37 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.26 3.92 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 1.28 0.00 0.00 112 L 7.83 3.89 0.00 1.83 1.78 0.78 0.51 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 0.00 113 L 8.15 3.98 0.00 1.90 1.70 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.08 4.04 0.00 1.86 1.75 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.24 4.05 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 116 V 7.86 3.68 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 1.10 0.00 0.00 0.90 0.00 0.00 117 A 8.15 3.60 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.25 3.92 1.44 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 0.00 119 F 8.49 3.85 0.00 3.21 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 0.00 120 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 0.00 121 Y 7.87 4.42 0.00 3.10 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 0.00 122 Q 7.97 4.07 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 123 I 7.53 3.57 1.88 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.70 0.92 0.00 0.00 124 E 8.28 3.97 0.00 2.26 2.02 0.00 0.00 0.00 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 2.60 0.00 125 E 8.16 3.97 0.00 2.18 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 2.32 2.46 0.00 126 L 8.11 3.96 0.00 1.83 1.81 0.90 1.17 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 0.00 127 M 8.37 4.23 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.63 0.00 128 I 7.77 3.83 2.04 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 1.66 1.05 0.91 0.00 0.00 129 L 7.76 3.99 0.00 1.79 1.92 0.91 1.04 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 0.00 130 L 7.65 4.43 0.00 1.76 1.32 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.63 3.77 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 132 Y 7.92 5.01 0.00 3.07 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.68 4.45 0.00 1.76 1.75 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 134 I 8.03 4.46 1.89 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 1.43 0.79 0.95 0.00 0.00 135 P 0.00 4.61 0.00 2.07 1.99 0.00 3.70 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 2.03 2.08 0.00 136 R 8.20 4.55 0.00 1.78 1.65 0.00 3.26 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 137 N 8.45 4.62 0.00 2.84 2.92 0.00 0.00 6.17 7.13 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 *154 K 8.57 4.37 0.00 1.83 1.92 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.40 7.81 155 K 8.14 4.18 0.00 1.84 1.89 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.65 7.81 156 L 7.98 4.36 0.00 1.81 1.73 0.98 1.03 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 0.00 157 W 8.51 4.36 0.00 3.42 3.45 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 0.00 158 G 8.10 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 0.00 159 L 7.86 3.70 0.00 1.92 1.83 0.95 0.51 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 0.00 160 K 7.87 4.01 0.00 1.84 1.70 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.62 7.81 161 V 7.19 3.32 1.79 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 0.92 0.00 0.00 -0.16 0.00 0.00 162 L 7.35 3.75 0.00 1.56 1.53 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 7.81 3.93 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 164 E 8.75 4.11 0.00 2.10 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 0.00 2.45 2.47 0.00 165 L 7.77 2.80 0.00 1.00 1.49 -0.31 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.96 3.95 0.00 3.92 3.90 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 0.00 167 Q 8.06 4.06 0.00 2.43 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 168 W 8.13 3.92 0.00 3.43 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 0.00 169 T 7.83 3.91 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 1.17 0.00 0.00 170 V 7.28 3.55 2.16 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 0.93 0.00 0.00 0.89 0.00 0.00 171 R 7.78 3.79 0.00 1.46 1.57 0.00 3.16 0.00 0.00 3.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.17 0.00 172 S 8.28 4.30 0.00 4.18 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.92 3.76 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 1.46 1.01 0.96 0.00 0.00 174 H 8.11 4.19 0.00 3.25 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.30 4.28 0.00 3.01 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 0.00 176 L 8.42 4.18 0.00 1.78 1.78 1.08 1.23 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 0.00 177 R 7.89 4.01 0.00 2.06 2.06 0.00 3.23 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 178 F 7.96 4.29 0.00 2.95 3.21 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 0.00 179 I 7.58 3.89 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.99 0.00 0.00 180 S 7.70 4.40 0.00 3.78 3.78 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 * Residues marked with a * may have inaccurate shift predictions.