NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3568 8.3344 116.7952 58.4496 64.3997 173.5086 3 N 4.4235 8.2670 123.5497 52.3056 40.8006 173.3386 *5 Q 4.2986 9.2703 117.1954 56.0656 31.8885 177.3461 6 L 4.0382 8.2872 117.7234 58.1388 41.6385 179.4512 7 D 4.4201 8.3264 118.7193 57.5894 40.6672 179.0331 8 T 3.9543 7.9095 115.8670 66.5333 68.4963 176.4301 9 L 3.9850 8.4557 121.3528 57.8564 41.6676 179.5446 10 R 3.8686 8.0835 118.4051 59.5053 29.9186 178.5433 11 R 3.9001 7.9614 118.3480 59.4306 30.0834 178.5735 12 I 3.7374 7.9860 119.6612 64.6242 37.1387 178.9563 13 V 3.6643 8.1526 113.5621 64.3855 31.0592 178.6596 14 Q 4.0444 7.9094 117.3347 58.8649 28.6552 178.1443 15 E 4.0791 7.9195 120.5808 59.2724 29.6908 178.9157 16 I 3.7097 7.8168 119.9633 64.4286 36.9194 178.0335 17 N 4.3818 8.4406 116.8485 55.6579 38.2902 176.5227 18 S 4.7445 7.2186 114.6160 57.2349 63.8210 174.5347 19 S 4.4945 7.3761 116.6198 58.7765 63.1753 174.5682 20 V 4.1626 8.2502 114.2483 61.3855 32.3790 176.0901 21 S 4.5353 7.2884 114.0226 56.2741 66.1505 176.4105 22 L 3.8885 8.0918 122.7162 58.8384 41.7351 178.4879 23 H 4.0610 8.1989 115.5325 58.7310 28.6039 177.1368 24 D 4.3080 8.3112 119.9264 57.4557 40.8551 178.4136 25 S 4.1089 7.9417 114.4299 61.7112 62.9180 176.4712 26 L 4.0836 7.7850 120.4059 57.6536 41.6116 178.7760 27 D 4.4944 8.2454 118.0365 57.2981 41.0855 179.0976 28 I 3.4473 7.8490 117.7365 62.2889 37.1890 178.1863 *30 V 4.0111 7.7514 115.5014 61.6483 33.6903 177.8333 31 N 4.3374 8.2005 117.0650 56.4487 38.2660 177.6047 32 Q 4.0087 8.3955 119.8347 58.9572 28.5867 178.9658 33 V 3.6904 7.7396 117.5529 65.8725 31.9763 177.3736 34 A 4.1472 8.0755 120.5905 55.1983 17.9844 179.3477 35 D 4.3216 7.9210 116.0297 57.4279 40.9924 179.4904 36 A 4.0361 7.7797 115.8769 52.6547 19.1530 178.2007 *38 K 4.1096 7.8079 116.9485 58.1443 33.2010 175.7967 39 V 4.8580 7.5253 111.0642 59.3750 34.9163 176.6193 40 D 4.6346 8.9318 122.3042 57.0032 41.9552 176.9029 41 V 4.7449 8.0198 117.6629 61.1432 35.3230 173.9713 42 C 5.2001 9.0428 127.0989 57.8042 34.7313 172.7848 43 S 5.0970 9.2249 121.1807 56.7823 67.2581 172.8735 44 I 4.9775 8.2599 122.6041 59.8231 39.8233 174.5498 45 Y 4.9910 9.2166 124.8002 56.2555 40.7134 174.6413 46 L 5.1250 8.8883 123.6457 52.7115 44.6105 175.5932 47 L 3.9710 8.6350 125.5095 55.1294 43.1813 176.1238 48 D 4.6149 8.9590 127.3736 52.3918 41.1158 176.1018 49 E 3.8328 8.6012 126.5449 58.8108 30.2329 178.8427 50 R 3.8372 8.1492 117.5232 59.2857 29.9444 176.5665 51 N 4.6278 7.9134 110.8145 52.4090 39.3351 174.6464 52 Q 3.2945 7.5656 116.9663 56.8907 27.1980 173.4458 53 R 4.8825 7.6213 111.5715 54.6892 34.0093 174.5165 54 Y 5.0200 9.3037 118.7724 56.4303 40.2427 174.3119 55 L 5.0754 8.9468 127.4285 53.0898 44.1897 175.7601 56 L 3.9514 9.0749 128.6549 54.9939 43.6072 175.4417 *58 A 4.3859 8.3438 123.6050 52.2231 20.2494 175.4855 59 S 4.8629 8.3182 112.8771 57.0232 65.8696 173.3158 60 K 4.3055 9.0873 128.5233 56.3279 33.2812 175.5597 61 G 4.1498 9.1469 115.7255 46.8368 0.0000 173.9271 62 L 4.3191 7.2600 118.2495 53.2717 42.6532 175.9703 63 N 4.2026 8.8040 118.6426 53.7389 39.1775 173.6160 64 P 4.2759 0.0000 0.0000 65.8331 31.6089 178.4564 65 E 4.0875 8.2065 116.5418 59.0619 29.7687 178.6189 66 S 4.2663 8.4164 115.8828 61.0684 62.6258 174.9594 67 V 3.7679 7.8044 121.1199 63.9101 31.6154 176.3350 68 G 3.9934 9.3044 114.7053 46.6068 0.0000 173.3629 69 H 4.6357 7.8501 115.5730 56.9654 31.5470 174.5716 70 V 3.8793 8.3703 120.6513 63.0815 32.2470 174.7394 71 S 5.3388 8.7504 121.7268 56.5970 65.6255 172.7583 72 L 5.1012 9.0953 125.9209 53.0578 45.3494 176.7741 73 Q 4.5714 10.0346 123.1997 55.1247 29.6984 177.3185 74 L 4.1732 8.4694 119.0373 57.7779 41.7658 179.4605 75 S 4.2621 8.0256 111.1224 59.3180 63.3913 173.8489 76 E 4.1880 8.3888 122.7821 55.5289 29.2118 176.8945 77 G 4.1497 8.2911 115.8424 44.7572 0.0000 172.4187 78 L 3.8340 8.0243 116.9070 57.1191 41.5985 179.5098 79 V 3.5181 7.5834 118.2584 65.8014 31.4874 177.8445 80 G 3.8752 7.3765 106.4731 47.1034 0.0000 175.2152 81 L 3.9098 7.5860 122.5135 57.7497 42.0871 179.1243 82 V 3.8088 7.8995 118.3639 66.0539 31.2103 178.3020 83 G 4.1840 7.4575 105.1589 47.2536 0.0000 175.2031 84 Q 4.1749 8.0866 121.3543 58.7905 29.3394 178.0152 85 R 4.2621 7.9885 113.7855 55.4598 30.3012 175.6792 86 E 3.9035 8.0821 118.1350 57.6610 27.8308 173.7750 87 E 4.8218 7.8985 116.2573 53.9459 33.1489 175.1886 88 I 4.0516 8.4805 125.7812 61.6784 38.1116 175.4428 89 V 4.3230 8.7347 126.6628 61.1883 33.6790 173.8277 90 N 5.3394 8.9635 126.8576 51.9492 41.1167 173.7469 91 L 4.6413 9.3745 127.4973 52.7731 44.2600 177.2390 92 E 3.9247 9.1565 125.3536 57.6354 29.9031 176.1335 93 N 4.8867 7.7930 117.7547 51.0773 39.4999 174.0299 94 A 3.8532 8.8929 129.7198 54.4822 18.5620 179.9629 95 S 4.5535 7.8804 111.1576 61.0823 63.0170 175.8729 96 K 4.0032 7.9033 119.5841 58.7879 32.2076 176.4594 97 H 4.7201 8.1144 119.0282 54.3236 30.8692 175.4794 98 E 4.2188 8.5990 125.4619 58.4399 29.6453 178.0536 99 R 4.0830 8.2008 117.6915 57.7589 30.6267 176.3474 100 F 4.4189 7.7766 120.1625 56.7936 40.6489 174.4535 *110 I 3.6796 7.9144 114.1297 60.9044 37.0832 174.5167 111 Y 4.7854 8.2439 124.1040 56.6044 38.4795 175.8985 112 N 4.6973 8.6427 123.7807 55.4038 40.0223 175.5139 113 S 5.4281 8.3674 114.0629 56.6687 66.8016 173.3703 114 F 5.2392 9.5023 125.3341 56.6497 43.1217 172.7983 115 L 4.9915 8.2558 127.5205 53.0930 45.1183 175.1037 116 G 4.2795 9.0776 113.4352 44.2489 0.0000 171.6350 117 V 4.9483 8.5846 123.5539 59.9591 34.8323 172.9099 118 P 4.6474 0.0000 0.0000 62.9406 31.9703 175.9007 119 V 4.1351 8.4882 123.0582 61.6665 33.6936 174.7682 *121 Y 4.2570 8.1611 124.9549 58.2876 39.3795 175.3376 122 R 3.4638 8.9986 128.0750 57.5497 27.5470 177.1683 123 R 3.9363 8.0332 111.5328 56.5114 28.2066 176.5790 124 K 4.5665 7.6082 117.4924 54.3451 33.9696 176.5996 125 V 3.9378 8.1485 122.7347 62.5944 32.6135 174.7216 *127 G 4.1513 8.0395 107.9581 46.2479 0.0000 171.2086 128 V 4.9618 8.7875 118.5317 61.1298 35.2270 174.6547 129 L 5.0537 8.8359 129.7438 53.4821 44.1906 175.0882 130 V 4.5310 8.9016 125.6660 61.0439 34.9325 174.4076 131 V 4.8371 8.2071 120.2333 59.6896 34.8765 174.7398 132 Q 5.0623 8.8402 121.7898 54.3251 33.6071 173.6737 133 N 5.3350 9.0595 119.3273 52.2273 42.3126 174.6194 134 K 4.3521 10.1979 127.8077 59.5813 32.7113 176.9107 135 Q 4.3759 7.9561 119.2665 54.6377 29.5419 174.5431 136 P 4.2874 0.0000 0.0000 63.1208 31.9251 175.8260 137 Q 4.2834 8.7134 122.9636 53.9585 32.0735 174.1057 138 D 4.3200 8.3038 124.3647 53.0083 40.3077 175.5379 139 F 4.8266 8.2058 119.2616 55.3991 41.3578 176.2210 140 S 4.5444 8.5159 121.1487 57.4301 65.4277 174.7776 141 E 3.9671 8.6900 120.4954 59.6477 29.0226 179.5166 142 A 4.0113 8.0357 120.0042 54.9409 18.4222 179.2938 143 A 3.9747 8.0176 119.3561 55.3660 18.4657 179.6090 144 E 3.9174 8.3596 117.0061 59.9085 29.6192 179.8818 145 S 4.2139 8.3113 115.0982 61.3686 62.8160 176.5522 146 F 4.1680 8.6228 123.6399 61.4464 39.1462 177.2414 147 L 3.8083 8.2972 118.6973 57.6561 41.4008 179.5000 148 V 3.5638 8.1956 118.6321 66.4129 31.4281 178.2806 149 T 3.8171 7.8586 115.1875 66.7090 68.2461 176.7841 150 L 3.8988 7.6174 120.8502 57.8613 41.5161 179.3800 151 C 4.0799 8.4589 117.0176 62.6849 27.7885 175.9984 152 A 4.0249 7.8196 121.6926 54.9270 18.3055 179.1823 153 Q 4.0311 7.9022 117.6921 59.3881 29.2232 178.2946 154 L 4.0024 8.1493 121.7741 58.0749 41.9900 178.9471 155 S 4.2689 8.2832 114.5548 61.5412 62.7203 176.8946 156 G 3.4439 7.8491 108.4701 47.2113 0.0000 175.8176 157 V 3.5522 7.7077 120.0692 66.0057 31.5538 178.1377 158 I 3.6633 7.8185 119.1655 64.0910 36.9834 178.0525 159 A 3.8051 7.9850 122.0767 55.5213 18.0742 179.1424 160 H 4.0055 8.3267 116.5684 59.3069 29.9071 177.2328 161 A 3.9192 7.8973 122.5770 55.4736 18.0899 179.3491 162 H 4.2299 8.1988 114.4444 58.9868 28.5500 177.9203 163 A 4.0162 7.7421 121.5465 54.5829 18.3081 179.1192 164 V 4.1031 7.6016 107.8417 60.6340 32.0286 176.7508 165 G 3.8886 7.5711 106.5520 46.2749 0.0000 175.0165 166 N 4.5021 8.1403 119.9080 55.1111 38.8172 175.4932 167 I 4.1539 7.3013 115.2486 60.9590 37.7955 174.7274 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 S 8.33 4.36 0.00 3.88 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 3 N 8.27 4.42 0.00 2.81 2.73 0.00 0.00 7.19 6.39 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 *5 Q 9.27 4.30 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.66 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 6 L 8.29 4.04 0.00 1.88 1.75 0.94 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 7 D 8.33 4.42 0.00 2.71 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 8 T 7.91 3.95 4.40 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 1.39 0.00 0.00 9 L 8.46 3.99 0.00 1.94 1.72 0.98 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.08 3.87 0.00 1.91 2.13 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 11 R 7.96 3.90 0.00 1.97 2.07 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 12 I 7.99 3.74 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.69 0.87 0.00 0.00 13 V 8.15 3.66 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 0.77 0.00 0.00 0.99 0.00 0.00 14 Q 7.91 4.04 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.97 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 15 E 7.92 4.08 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 16 I 7.82 3.71 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 0.93 0.00 0.00 17 N 8.44 4.38 0.00 2.86 2.89 0.00 0.00 6.96 7.20 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 18 S 7.22 4.74 0.00 3.76 3.84 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 19 S 7.38 4.49 0.00 3.97 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 20 V 8.25 4.16 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 0.73 0.00 0.00 0.98 0.00 0.00 21 S 7.29 4.54 0.00 3.99 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 22 L 8.09 3.89 0.00 1.75 1.69 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.20 4.06 0.00 3.26 3.34 0.00 5.87 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 24 D 8.31 4.31 0.00 2.79 2.81 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 25 S 7.94 4.11 0.00 4.02 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 26 L 7.78 4.08 0.00 1.68 1.66 0.79 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.25 4.49 0.00 2.88 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 28 I 7.85 3.45 1.99 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 1.51 0.66 0.90 0.00 0.00 *30 V 7.75 4.01 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 0.73 0.00 0.00 1.00 0.00 0.00 31 N 8.20 4.34 0.00 2.85 2.86 0.00 0.00 7.04 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 32 Q 8.40 4.01 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 33 V 7.74 3.69 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 0.88 0.00 0.00 0.90 0.00 0.00 34 A 8.08 4.15 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 35 D 7.92 4.32 0.00 2.87 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 36 A 7.78 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 *38 K 7.81 4.11 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.55 7.81 39 V 7.53 4.86 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 0.95 0.00 0.00 0.96 0.00 0.00 40 D 8.93 4.63 0.00 2.75 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 41 V 8.02 4.74 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.50 0.00 0.00 42 C 9.04 5.20 0.00 2.94 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 43 S 9.22 5.10 0.00 3.70 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 44 I 8.26 4.98 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.90 0.00 0.00 45 Y 9.22 4.99 0.00 2.97 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 46 L 8.89 5.12 0.00 1.60 1.58 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.63 3.97 0.00 1.50 1.53 0.29 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.96 4.61 0.00 2.67 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 49 E 8.60 3.83 0.00 1.97 1.88 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 2.34 2.26 0.00 50 R 8.15 3.84 0.00 1.77 1.94 0.00 3.31 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 51 N 7.91 4.63 0.00 2.73 2.81 0.00 0.00 7.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.57 3.29 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 53 R 7.62 4.88 0.00 1.87 1.94 0.00 2.74 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 54 Y 9.30 5.02 0.00 2.89 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 55 L 8.95 5.08 0.00 1.79 1.57 1.02 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.07 3.95 0.00 1.70 1.58 0.25 0.81 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 *58 A 8.34 4.39 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.32 4.86 0.00 3.72 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 60 K 9.09 4.31 0.00 1.84 1.61 0.00 1.54 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 61 G 9.15 4.15 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 0.00 0.00 0.00 62 L 7.26 4.32 0.00 1.61 1.65 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.80 4.20 0.00 2.75 2.78 0.00 0.00 6.90 7.71 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 64 P 0.00 4.28 0.00 2.22 2.11 0.00 3.67 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 2.12 2.13 0.00 65 E 8.21 4.09 0.00 2.16 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 2.42 0.00 66 S 8.42 4.27 0.00 4.00 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 67 V 7.80 3.77 2.21 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 0.92 0.00 0.00 0.89 0.00 0.00 68 G 9.30 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 0.00 0.00 0.00 69 H 7.85 4.64 0.00 3.45 3.32 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.37 3.88 2.18 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 1.15 0.00 0.00 1.01 0.00 0.00 71 S 8.75 5.34 0.00 3.92 3.71 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 72 L 9.10 5.10 0.00 1.63 1.51 0.70 1.04 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 73 Q 10.03 4.57 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 74 L 8.47 4.17 0.00 1.82 1.79 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.03 4.26 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.19 0.00 2.21 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 2.28 2.26 0.00 77 G 8.29 4.15 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 0.00 0.00 0.00 78 L 8.02 3.83 0.00 0.69 0.79 0.01 0.40 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 79 V 7.58 3.52 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 0.17 0.00 0.00 0.56 0.00 0.00 80 G 7.38 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 81 L 7.59 3.91 0.00 1.83 1.76 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.90 3.81 2.13 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 1.00 0.00 0.00 1.07 0.00 0.00 83 G 7.46 4.18 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 0.00 0.00 0.00 84 Q 8.09 4.17 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 85 R 7.99 4.26 0.00 2.03 2.03 0.00 3.28 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 86 E 8.08 3.90 0.00 2.15 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 2.34 2.34 0.00 87 E 7.90 4.82 0.00 2.06 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 0.00 2.18 2.31 0.00 88 I 8.48 4.05 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 1.21 0.65 0.96 0.00 0.00 89 V 8.73 4.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 90 N 8.96 5.34 0.00 2.78 2.75 0.00 0.00 7.02 7.78 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 91 L 9.37 4.64 0.00 1.59 1.53 0.77 0.68 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 92 E 9.16 3.92 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 93 N 7.79 4.89 0.00 2.71 2.65 0.00 0.00 7.09 8.40 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 94 A 8.89 3.85 0.06 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 95 S 7.88 4.55 0.00 4.08 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 96 K 7.90 4.00 0.00 1.92 1.90 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.48 7.81 97 H 8.11 4.72 0.00 3.16 3.15 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.60 4.22 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 99 R 8.20 4.08 0.00 1.77 1.91 0.00 3.35 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.53 0.00 100 F 7.78 4.42 0.00 2.87 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 *110 I 7.91 3.68 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.87 0.00 0.00 111 Y 8.24 4.79 0.00 3.26 3.19 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 0.00 112 N 8.64 4.70 0.00 2.92 2.90 0.00 0.00 6.37 7.45 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 0.00 113 S 8.37 5.43 0.00 3.90 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 0.00 114 F 9.50 5.24 0.00 2.85 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 0.00 115 L 8.26 4.99 0.00 0.84 0.37 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.08 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 0.00 0.00 0.00 0.00 117 V 8.58 4.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.84 0.00 0.00 118 P 0.00 4.65 0.00 2.14 2.04 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 119 V 8.49 4.14 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 0.80 0.00 0.00 0.95 0.00 0.00 *121 Y 8.16 4.26 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 R 9.00 3.46 0.00 1.84 1.82 0.00 3.23 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.53 0.00 123 R 8.03 3.94 0.00 1.94 2.06 0.00 3.17 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 124 K 7.61 4.57 0.00 1.92 1.74 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 125 V 8.15 3.94 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 0.99 0.00 0.00 1.03 0.00 0.00 *127 G 8.04 4.15 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 0.00 0.00 0.00 128 V 8.79 4.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.60 0.00 0.00 129 L 8.84 5.05 0.00 1.72 1.43 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 130 V 8.90 4.53 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 0.61 0.00 0.00 0.93 0.00 0.00 131 V 8.21 4.84 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 0.55 0.00 0.00 0.39 0.00 0.00 132 Q 8.84 5.06 0.00 1.46 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.12 0.00 133 N 9.06 5.33 0.00 2.97 2.81 0.00 0.00 7.01 6.09 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 0.00 134 K 10.20 4.35 0.00 2.02 1.91 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 Q 7.96 4.38 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 136 P 0.00 4.29 0.00 2.00 1.97 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 137 Q 8.71 4.28 0.00 1.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 138 D 8.30 4.32 0.00 2.71 2.55 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 0.00 139 F 8.21 4.83 0.00 3.19 2.90 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 0.00 140 S 8.52 4.54 0.00 4.06 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 0.00 141 E 8.69 3.97 0.00 2.05 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 2.42 2.41 0.00 142 A 8.04 4.01 1.32 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 0.00 0.00 143 A 8.02 3.97 1.50 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 E 8.36 3.92 0.00 2.21 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 2.35 2.62 0.00 145 S 8.31 4.21 0.00 4.04 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.62 4.17 0.00 3.14 3.29 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 0.00 147 L 8.30 3.81 0.00 1.71 1.64 0.81 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.20 3.56 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 1.02 0.00 0.00 1.00 0.00 0.00 149 T 7.86 3.82 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 1.15 0.00 0.00 150 L 7.62 3.90 0.00 1.44 1.52 0.25 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 151 C 8.46 4.08 0.00 3.09 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 0.00 152 A 7.82 4.02 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 0.00 153 Q 7.90 4.03 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 154 L 8.15 4.00 0.00 1.84 1.83 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.28 4.27 0.00 4.25 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 0.00 156 G 7.85 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 V 7.71 3.55 2.21 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 1.03 0.00 0.00 0.95 0.00 0.00 158 I 7.82 3.66 1.83 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 1.41 0.60 0.91 0.00 0.00 159 A 7.99 3.81 0.49 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 0.00 160 H 8.33 4.01 0.00 3.16 3.46 0.00 5.60 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.90 3.92 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 0.00 162 H 8.20 4.23 0.00 3.33 3.31 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 7.74 4.02 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 0.00 164 V 7.60 4.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.93 0.00 0.00 165 G 7.57 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 0.00 166 N 8.14 4.50 0.00 2.69 2.87 0.00 0.00 6.60 6.82 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 0.00 167 I 7.30 4.15 1.76 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.23 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.