NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8086 8.2133 109.7364 45.4934 0.0000 175.6272 *2 E 4.3048 9.0272 119.8938 56.2194 32.5451 178.0859 3 F 3.6158 8.1880 119.8035 61.0446 39.3984 176.7034 4 N 4.0229 8.4198 116.5909 56.5444 38.2316 177.0151 5 H 4.1942 7.8996 116.9952 58.6759 28.8127 177.3763 6 L 3.7760 7.4769 122.1718 58.3449 41.8825 179.2091 7 T 3.5395 7.3391 109.9704 64.3392 68.5673 176.3661 8 K 3.8266 7.9242 122.4879 59.2255 32.1813 178.3581 9 Q 3.9112 8.0883 119.8645 59.3986 28.9987 178.5288 10 L 3.7526 7.8324 119.8405 57.6888 41.4598 179.2863 11 N 4.4244 8.2404 116.5403 56.3758 38.4562 177.5360 12 Q 4.0039 8.2623 119.5943 58.6209 28.7909 178.2015 13 L 4.0253 8.3036 121.9212 58.2540 41.8771 178.8082 14 L 3.9417 7.7275 118.2326 58.3318 42.1286 178.6220 15 A 4.1963 7.8726 119.1943 54.8910 18.3032 179.2325 16 Q 4.2293 8.1837 115.9229 58.0522 29.2836 176.6923 17 D 4.7671 8.2155 115.6289 54.0173 42.1880 175.8275 18 Y 4.4091 7.7227 117.6294 55.7674 39.1931 176.4293 19 V 3.6006 8.2334 119.4657 63.9653 31.9860 178.9521 20 A 3.5922 8.3043 122.2336 54.2870 18.1183 178.0190 21 F 4.5262 7.5397 112.1102 57.1846 39.7185 175.6352 22 S 4.4249 7.6621 117.5848 57.2317 62.8316 174.9555 23 I 3.7218 8.3369 127.5344 63.1304 38.1132 176.2973 24 T 4.2766 7.7626 108.6228 62.3284 69.8928 174.9877 25 E 4.3486 8.0112 119.0384 55.5043 30.4310 175.6979 26 N 4.1947 7.7098 119.0823 53.1078 39.3167 173.9586 27 P 4.1861 0.0000 0.0000 65.5723 31.9096 178.0419 28 V 3.6026 7.8921 118.6155 65.7301 31.6434 177.0558 29 V 3.5420 7.9177 117.8390 66.1417 31.2412 178.1773 30 Q 4.1613 7.6908 118.6425 55.6607 27.5436 177.4184 *32 L 3.9977 8.0322 119.5061 54.8146 43.7700 179.6685 33 S 4.3022 8.2609 113.7737 61.0441 62.7966 175.0180 34 Q 4.3937 7.8971 114.9194 56.0691 29.5206 175.5621 35 A 4.4569 7.3086 121.3696 51.7453 19.4916 177.9833 36 S 4.7251 9.1172 117.2628 57.4434 65.5877 175.3843 37 F 4.2781 9.0602 123.9702 61.8375 39.0514 177.1070 38 A 4.2080 8.3805 119.6132 55.4441 18.3264 179.5123 39 Q 4.0060 8.0304 116.0660 59.2264 28.5844 178.9697 40 I 3.7399 7.6128 119.4285 63.9268 37.1674 177.9185 41 A 4.0094 7.9986 121.6140 55.1415 18.4572 178.6245 42 Y 4.4601 8.0897 119.3361 60.1827 38.8539 179.3013 43 V 3.4002 7.5341 115.6097 63.7527 31.5997 177.4294 *45 Q 4.2612 7.9984 117.0877 55.6996 30.9002 177.6852 46 Q 3.9378 7.8288 116.6706 59.0209 28.5533 177.9740 47 Y 4.3084 8.4529 121.1996 60.9492 38.7636 178.4705 48 S 4.1569 7.8918 114.1864 61.5385 62.8096 176.6151 49 I 3.6900 7.7485 123.2772 63.9576 36.6409 178.1117 50 F 4.2251 8.2472 121.7540 60.9914 38.6755 175.4424 51 P 4.0547 0.0000 0.0000 65.2093 30.8261 178.3791 52 K 3.5134 7.2805 117.1981 59.6894 32.4202 178.5981 53 E 3.8114 8.1531 118.5766 59.0225 29.2214 179.3268 54 L 4.0397 7.9652 119.3670 57.2122 41.4912 179.6706 55 V 3.5874 7.1514 119.2908 65.9125 31.4722 178.2765 56 G 3.3666 7.6926 104.9413 47.7253 0.0000 175.5150 57 F 4.0298 7.5495 120.0254 60.5106 38.6634 177.8922 58 T 4.0170 8.1745 115.7628 66.4912 68.1965 176.2202 59 E 3.9278 8.2821 121.3144 59.3158 29.6438 178.9015 60 L 4.0458 7.9342 118.7918 57.8021 41.6075 179.3882 61 A 4.1152 8.4466 120.7859 55.0595 18.2447 179.5623 62 R 3.8691 8.4183 117.6092 59.8319 30.1003 179.0581 63 R 3.9178 8.1168 117.7772 59.0361 30.0384 179.1890 64 K 3.8469 8.2603 118.2061 59.2705 31.9578 179.2228 65 A 3.6714 8.1843 121.2275 55.0369 18.3349 179.5186 66 L 3.9829 8.1613 117.8637 58.1066 41.5220 180.0908 67 G 3.6025 8.0656 104.0203 47.2371 0.0000 174.5431 68 A 4.3704 7.4868 119.7081 51.3964 19.0806 177.9334 69 G 3.8764 7.8270 105.4099 46.2711 0.0000 176.0428 70 W 2.8825 7.9581 121.8135 54.9484 25.4773 176.6992 71 N 4.4730 7.6446 120.2175 56.2173 38.6974 177.3050 72 G 3.7866 8.8031 107.5868 47.7536 0.0000 176.0233 73 V 3.7924 8.1240 121.1337 65.3031 31.6852 177.6903 74 A 4.0344 8.1701 120.6021 55.2978 18.1874 179.4328 75 Q 3.9044 8.3715 118.0279 59.3160 28.8101 177.9874 76 E 4.0083 8.2856 120.3769 59.4290 29.6125 178.8484 77 L 4.0907 8.4246 119.4000 57.6796 41.5816 179.1787 78 Q 3.9705 8.4083 119.8190 59.2864 28.9016 178.2442 79 E 4.0051 8.3410 119.5406 59.3888 29.4306 179.0245 80 N 4.3532 8.3105 116.4436 56.4617 38.4478 177.3848 81 I 3.6936 7.7119 119.7147 64.5467 37.5249 177.8192 82 D 4.5122 8.4266 119.9754 57.3713 40.4455 178.6030 83 E 4.2480 8.1340 119.9782 58.6274 30.0456 180.0534 84 E 3.8796 8.5227 119.7903 56.1514 28.7616 178.5383 *86 G 4.2933 8.2129 105.7292 45.4148 0.0000 175.6722 87 S 4.2974 8.3630 116.9653 60.3877 63.0270 175.7113 88 T 4.7455 7.9647 108.6381 61.4189 69.2696 173.8562 89 T 4.6491 7.1957 112.4012 61.7999 69.0832 174.7779 90 G 3.9479 9.2655 106.0504 47.5823 0.0000 175.2786 91 G 3.9112 8.7816 107.5466 44.8297 0.0000 174.0197 92 I 4.2207 7.3054 121.3064 59.7092 38.1611 176.7073 93 S 4.4637 8.4773 120.7055 58.5344 64.9336 174.8290 94 H 4.1783 8.8949 121.1493 59.3196 28.4299 177.4644 95 Y 3.9692 8.0510 120.6477 61.1669 38.6554 178.3296 96 T 3.6235 8.0863 116.5153 66.3551 68.5090 176.6325 97 L 3.7913 7.8009 120.9557 57.5626 41.5411 179.3645 98 L 3.5388 7.1558 119.7715 57.9240 42.0329 178.8691 99 A 3.7680 7.6665 120.9684 55.2670 18.1868 179.3823 100 D 4.3674 8.5762 117.8886 57.3171 40.7557 179.2888 101 G 3.5578 8.0353 106.3035 47.7706 0.0000 175.8035 102 L 4.0901 8.1427 121.7150 57.5121 41.6408 179.5653 103 E 4.1873 8.1694 119.9013 58.8709 29.2322 179.0366 104 E 4.0571 8.3494 118.6102 59.2501 29.8122 178.7703 105 G 3.9155 8.3076 104.9111 46.8817 0.0000 174.2372 106 L 4.6496 8.0911 118.5223 53.0594 43.7998 177.7302 107 G 3.6950 8.1948 106.0415 46.1939 0.0000 173.6084 108 V 4.0629 7.2103 117.2955 60.8126 31.5396 174.8747 109 A 4.7130 8.5270 131.2004 51.7972 19.0704 177.0070 110 V 4.6863 8.2320 114.2044 60.1876 34.0937 176.5121 111 K 4.0513 8.2635 119.7598 57.6513 32.0790 176.3150 112 N 4.2420 8.9630 118.9292 54.2387 37.2992 175.4408 113 T 4.2520 7.2649 117.2008 62.4839 70.1508 171.2858 *115 P 4.4873 0.0000 0.0000 63.0849 32.6817 177.1404 116 S 4.5129 9.0454 118.2366 57.5171 65.2840 175.4337 117 V 3.5579 8.4582 119.8691 66.4009 30.9155 177.5603 118 A 4.0842 8.6198 120.3328 55.6414 18.2089 179.8122 119 T 3.7833 8.0625 114.2426 66.6989 68.4773 177.0254 120 S 4.0376 8.6153 115.6028 61.1686 62.3354 176.1013 121 K 3.9001 8.2092 122.4052 59.2512 31.9402 178.3808 122 L 3.7654 8.0107 120.7518 58.2951 41.9305 179.0932 123 L 4.1409 7.9338 118.8515 57.8123 41.5712 179.7971 124 R 3.9907 8.2236 118.2147 59.3938 29.7584 179.2233 125 T 3.8496 7.8749 114.7700 66.6803 68.7901 176.4765 126 V 3.6384 8.1133 120.4781 65.9126 31.2845 177.7029 127 L 4.2216 8.0359 120.2937 58.2781 41.7221 179.1266 128 S 4.2193 7.8438 112.6965 61.2134 62.8990 176.1428 129 L 4.3536 7.9615 122.8983 57.3175 41.3285 178.2551 130 F 4.3104 8.0873 117.1827 58.7025 39.1602 176.8833 131 D 4.8458 7.8311 119.7158 56.1005 40.6964 181.5226 132 R 4.4665 7.4492 118.5732 55.9483 32.4192 176.6223 133 Q 4.1986 8.1586 116.6573 56.2108 30.6250 176.9253 134 V 3.3481 8.0977 121.0597 65.2780 31.0076 178.2179 135 D 4.6327 7.9465 118.9049 57.2199 40.8148 177.9988 136 Y 4.1419 8.0083 119.5490 60.7251 38.8844 177.9219 137 V 3.2759 7.9870 119.2417 65.9759 31.5700 178.0464 138 L 4.2052 8.4155 119.0840 57.3087 41.4565 179.7219 139 G 2.4037 7.7358 105.8397 47.3298 0.0000 175.6126 140 A 3.8545 7.2712 122.2286 55.0006 18.4326 179.5829 141 T 4.1484 7.8590 114.4032 66.9721 68.4650 176.4020 142 Y 4.2437 8.6064 121.7252 60.5278 38.8233 177.8069 143 A 3.1212 7.9069 121.9145 54.6925 18.0221 179.6331 144 I 3.5681 7.0582 117.6655 64.4513 37.3563 177.9057 145 E 4.0001 8.0013 119.3293 59.3087 29.3455 178.6001 146 A 3.8438 7.6523 120.1023 54.8268 18.6462 178.9438 147 T 3.8086 7.6621 106.7346 62.7867 69.1173 177.1300 148 S 4.1610 7.5164 119.1903 61.9334 62.8896 176.5037 149 I 3.6769 7.6044 121.5732 64.0749 37.1061 176.6111 150 P 4.2352 0.0000 0.0000 65.3773 31.1311 178.2411 151 E 4.0123 8.6561 118.5196 59.4772 29.6307 178.7844 152 L 4.0163 8.3828 120.6294 58.2822 42.1441 179.0521 153 T 3.7166 8.0548 116.0495 66.4465 68.2912 176.6042 154 L 3.8129 7.7000 120.6732 57.7477 41.5269 179.6424 155 I 3.5609 7.7377 119.8004 64.1919 36.9763 178.4960 156 V 2.7784 7.5529 119.3074 65.5547 31.1250 177.8408 157 K 3.8237 7.6773 118.9273 59.6830 32.0385 178.7276 158 L 3.9586 7.9824 119.2507 57.7686 41.5628 179.7676 159 V 3.7839 8.2655 118.6797 66.0661 31.2918 177.9590 160 E 4.0738 8.4819 117.9248 59.1315 29.3560 178.7338 161 W 4.2893 8.3669 127.7436 60.6077 30.8446 177.7876 162 L 4.2954 8.2273 118.0059 56.6984 41.4369 177.3617 163 H 4.6260 7.8567 118.0472 55.6470 29.6215 176.0556 164 E 4.1845 9.0173 120.5493 57.8899 30.5516 174.2747 165 G 4.4090 7.5990 108.7826 44.2147 0.0000 172.3331 166 A 4.1657 8.5356 124.8503 52.0800 19.1259 177.5866 167 I 4.0617 7.9848 114.1471 59.2815 39.0759 174.7623 168 P 4.4435 0.0000 0.0000 63.5824 33.0963 178.5696 169 K 4.0702 8.6291 125.5940 60.0315 31.6433 179.1760 170 D 4.6266 8.0550 119.2957 57.2532 40.8642 178.4136 171 L 3.8157 7.8650 120.4277 58.1447 42.0976 178.6001 172 Q 4.1847 8.4303 119.7399 59.2517 28.8962 177.7604 173 Y 3.9892 8.1588 120.6870 60.5499 38.6545 177.1887 174 F 4.1316 8.5389 121.9794 61.6722 39.3609 177.3193 175 F 4.2553 7.9845 116.8330 60.8145 38.6875 178.0006 176 S 4.1434 8.3086 115.1588 61.2706 62.3555 176.8645 177 K 3.6915 7.8177 121.1218 59.6237 32.1946 178.1770 178 H 4.4900 7.3343 116.0080 56.5761 29.3193 176.3034 179 L 4.6620 7.7253 118.1728 54.4677 43.3073 176.6749 180 D 4.6621 7.9103 117.6014 54.2675 41.2549 177.1724 *188 A 4.4436 8.0204 125.0298 52.2113 20.7986 180.0917 189 G 3.7992 8.1772 103.5966 47.3074 0.0000 175.5401 190 L 4.0704 7.9636 122.4826 57.7893 42.3262 178.6248 191 R 3.9509 8.2031 118.4505 59.8825 29.8263 178.4314 192 T 3.9399 8.2900 108.6921 64.6301 68.6272 176.3809 193 S 4.2580 8.2180 117.2496 61.3818 63.1218 176.7158 194 V 3.4622 8.0833 121.9881 65.3387 30.9947 177.6678 195 A 3.2309 7.6612 119.5369 54.8960 18.1746 179.1914 196 A 3.7230 7.3087 118.1896 54.2462 18.3357 177.8071 197 Y 4.0844 6.8220 112.8629 58.6138 40.3455 176.4663 198 I 3.6540 6.8701 119.3627 60.7886 38.6854 175.0012 199 Q 4.5816 8.4141 125.4815 53.5015 30.9451 174.6903 200 P 2.9700 0.0000 0.0000 65.2927 31.3576 178.3864 201 E 4.0741 7.9711 113.9307 58.1047 29.8844 177.5718 202 E 4.7078 8.2654 118.8875 56.2834 29.9234 177.3364 203 F 4.6549 8.3082 120.6495 60.8629 38.8807 177.7260 204 G 3.7443 8.3300 104.8493 47.8984 0.0000 175.5097 205 E 4.2050 8.3530 120.4921 59.0384 29.6506 178.8878 206 F 4.2865 8.5782 120.6206 61.3725 39.4327 177.0244 207 A 4.0410 8.6424 120.4121 55.1803 18.1337 179.4127 208 A 4.0585 8.4138 119.5799 55.2403 18.2262 180.1685 209 G 2.1945 7.3902 103.2577 47.1476 0.0000 175.4099 210 F 4.0500 7.5812 122.0774 60.9666 39.6611 176.7463 211 R 4.1589 8.3777 118.3318 59.3777 29.8508 179.0101 212 A 4.3396 7.8777 117.5045 52.8492 17.9073 178.9754 *214 I 4.0200 7.6919 115.8447 62.4471 39.7413 176.7860 215 D 4.7316 8.5040 120.8128 57.4325 40.9336 179.1378 216 A 4.2986 8.1196 119.1442 52.8793 17.9780 178.8945 *218 Q 4.3341 8.2284 121.8483 57.7495 30.9701 177.3409 219 V 3.8354 8.1194 117.0574 65.8827 31.4123 177.7135 220 W 4.2087 8.3392 127.8409 60.4238 30.5848 177.8600 221 W 3.6304 8.1996 118.2869 59.7612 28.4988 178.3649 222 Q 4.0171 8.2606 117.8521 59.1058 28.0885 178.7721 223 E 4.0143 8.4468 119.8162 59.2198 29.5304 179.1426 224 L 3.8890 8.3278 120.6189 57.7455 42.0226 178.8541 225 A 3.9646 7.9986 121.0352 55.0780 18.3180 179.4165 226 Q 3.8730 7.9155 117.5892 59.2871 28.9327 178.0768 227 E 3.8870 8.2717 118.6015 59.3721 29.3158 179.0037 228 A 3.8365 7.9781 120.5242 55.2689 18.0390 179.6179 229 I 3.7732 7.8139 117.0691 63.6578 38.0587 177.8065 230 S 4.2574 8.0888 115.0040 60.3426 62.6160 176.1826 231 S 4.1952 7.5052 116.5406 60.4412 62.6319 174.5806 232 E 4.5229 7.3260 119.2162 55.7752 29.9139 176.0323 233 V 3.6793 7.4468 120.0894 62.5231 32.0660 175.4268 234 V 4.1127 8.0940 126.7294 60.7529 32.1236 175.2242 235 L 4.0803 8.4038 129.8201 55.5378 42.5537 176.7385 236 S 4.1708 8.3408 118.7590 58.7976 62.7529 173.7255 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 0 G 8.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 E 9.03 4.30 0.00 2.39 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.88 0.00 3 F 8.19 3.62 0.00 2.87 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.42 4.02 0.00 2.61 2.74 0.00 0.00 7.02 7.81 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 5 H 7.90 4.19 0.00 3.31 3.28 0.00 5.63 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 6 L 7.48 3.78 0.00 1.49 1.15 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.34 3.54 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 -0.22 0.00 0.00 8 K 7.92 3.83 0.00 1.90 1.93 0.00 1.51 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.46 7.81 9 Q 8.09 3.91 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 10 L 7.83 3.75 0.00 1.28 0.13 0.66 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.24 4.42 0.00 2.88 2.87 0.00 0.00 7.01 6.99 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 12 Q 8.26 4.00 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 13 L 8.30 4.03 0.00 1.83 1.95 1.12 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.73 3.94 0.00 1.71 1.93 0.41 0.86 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 15 A 7.87 4.20 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 16 Q 8.18 4.23 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 17 D 8.22 4.77 0.00 2.97 2.53 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 0.00 18 Y 7.72 4.41 0.00 3.50 3.31 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 19 V 8.23 3.60 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 0.67 0.00 0.00 0.91 0.00 0.00 20 A 8.30 3.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.54 4.53 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.66 4.42 0.00 3.85 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 23 I 8.34 3.72 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.86 0.00 0.00 24 T 7.76 4.28 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 25 E 8.01 4.35 0.00 1.89 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 2.21 2.17 0.00 26 N 7.71 4.19 0.00 2.54 2.40 0.00 0.00 6.88 7.57 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 27 P 0.00 4.19 0.00 2.18 2.12 0.00 3.58 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 28 V 7.89 3.60 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 0.61 0.00 0.00 1.07 0.00 0.00 29 V 7.92 3.54 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 0.84 0.00 0.00 0.80 0.00 0.00 30 Q 7.69 4.16 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.34 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 *32 L 8.03 4.00 0.00 1.63 1.47 0.55 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.26 4.30 0.00 3.87 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 34 Q 7.90 4.39 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 35 A 7.31 4.46 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 36 S 9.12 4.73 0.00 4.19 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 37 F 9.06 4.28 0.00 3.15 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.21 1.46 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 0.00 0.00 39 Q 8.03 4.01 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 40 I 7.61 3.74 1.89 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 -0.36 0.75 0.00 0.00 41 A 8.00 4.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 8.09 4.46 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.77 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 61 A 8.45 4.12 1.57 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 0.00 0.00 62 R 8.42 3.87 0.00 2.01 2.14 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 63 R 8.12 3.92 0.00 2.07 1.95 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 64 K 8.26 3.85 0.00 1.88 1.70 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.59 1.59 7.81 65 A 8.18 3.67 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 3.98 0.00 1.83 1.72 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.07 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 68 A 7.49 4.37 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.78 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.48 7.81 112 N 8.96 4.24 0.00 2.89 2.93 0.00 0.00 7.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.26 4.25 4.28 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 1.26 0.00 0.00 *115 P 0.00 4.49 0.00 2.06 2.01 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 1.90 2.05 0.00 116 S 9.05 4.51 0.00 4.21 4.17 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 0.00 117 V 8.46 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 118 A 8.62 4.08 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 0.00 119 T 8.06 3.78 4.42 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 1.13 0.00 0.00 120 S 8.62 4.04 0.00 3.84 3.91 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.96 4.35 0.00 1.91 1.83 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.09 4.31 0.00 3.04 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 0.00 131 D 7.83 4.85 0.00 2.76 2.54 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 0.00 132 R 7.45 4.47 0.00 1.69 1.55 0.00 3.03 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.99 0.00 133 Q 8.16 4.20 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 134 V 8.10 3.35 1.58 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 0.31 0.00 0.00 -0.29 0.00 0.00 135 D 7.95 4.63 0.00 2.99 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 0.00 136 Y 8.01 4.14 0.00 2.99 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 0.00 137 V 7.99 3.28 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 0.80 0.00 0.00 0.95 0.00 0.00 138 L 8.42 4.21 0.00 2.14 2.18 1.17 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.74 2.40 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 0.00 140 A 7.27 3.85 0.95 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 0.00 141 T 7.86 4.15 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 142 Y 8.61 4.24 0.00 3.39 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 0.00 143 A 7.91 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 I 7.06 3.57 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.79 0.86 0.00 0.00 145 E 8.00 4.00 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 146 A 7.65 3.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.66 3.81 3.79 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 0.21 0.00 0.00 148 S 7.52 4.16 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.60 3.68 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.57 0.89 0.00 0.00 150 P 0.00 4.24 0.00 2.29 2.15 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 151 E 8.66 4.01 0.00 2.44 2.37 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 2.66 2.89 0.00 152 L 8.38 4.02 0.00 1.88 1.61 1.13 0.51 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 0.00 153 T 8.05 3.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 210 F 7.58 4.05 0.00 2.87 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 8.38 4.16 0.00 2.11 2.18 0.00 3.49 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 212 A 7.88 4.34 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 *214 I 7.69 4.02 1.36 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.21 0.18 0.00 0.00 215 D 8.50 4.73 0.00 3.04 2.88 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 0.00 216 A 8.12 4.30 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 *218 Q 8.23 4.33 0.00 2.44 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 219 V 8.12 3.84 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.05 0.00 0.00 220 W 8.34 4.21 0.00 3.27 3.04 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 0.00 221 W 8.20 3.63 0.00 3.43 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 0.00 222 Q 8.26 4.02 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 223 E 8.45 4.01 0.00 2.15 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 2.35 2.46 0.00 224 L 8.33 3.89 0.00 1.14 1.29 0.77 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 225 A 8.00 3.96 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 0.00 226 Q 7.92 3.87 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 227 E 8.27 3.89 0.00 2.23 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 2.37 2.55 0.00 228 A 7.98 3.84 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 I 7.81 3.77 1.93 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 1.55 1.17 0.94 0.00 0.00 230 S 8.09 4.26 0.00 4.06 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 0.00 231 S 7.51 4.20 0.00 4.00 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 0.00 232 E 7.33 4.52 0.00 1.97 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 2.24 2.36 0.00 233 V 7.45 3.68 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.91 0.00 0.00 234 V 8.09 4.11 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 0.83 0.00 0.00 0.93 0.00 0.00 235 L 8.40 4.08 0.00 1.61 1.56 0.91 0.92 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 0.00 236 S 8.34 4.17 0.00 3.96 3.80 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 * Residues marked with a * may have inaccurate shift predictions.