NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9298 8.2833 119.1991 53.0635 40.3414 174.8222 2 L 4.0345 9.0691 126.8233 58.0150 41.5160 178.4303 3 L 4.3303 9.4145 120.2532 57.4547 41.8733 179.1738 4 Q 4.1459 8.3408 118.7761 58.5601 28.7833 177.9783 5 F 4.4819 8.2945 121.2513 61.4757 39.4715 176.5946 6 N 4.0784 8.6859 116.4992 56.3505 38.1675 177.2622 7 K 4.0174 7.6045 119.5779 59.7019 32.5215 178.4916 8 M 4.2410 8.0508 119.1343 58.2792 31.8440 178.6065 9 I 3.6425 7.6761 119.9816 64.3641 37.2272 178.3557 10 K 4.7435 7.8093 121.5958 59.0565 31.7830 178.2637 *12 E 4.2952 7.9221 116.3083 56.4127 31.4597 176.9037 13 E 4.1539 8.8982 117.6426 58.6419 29.7401 177.6963 14 T 4.2528 8.5413 106.6950 60.8061 69.8727 175.8608 15 G 3.8363 8.2407 110.1058 45.4048 0.0000 173.4118 16 K 4.0992 7.3853 118.6907 54.6047 32.8624 174.8746 17 N 5.0135 7.8503 116.6324 51.7912 40.1878 176.5119 18 A 4.3393 8.7436 124.6505 54.6226 18.7187 177.5985 19 I 4.7662 7.7467 115.9755 59.2682 38.5395 173.6689 20 P 4.9573 0.0000 0.0000 62.4094 32.0605 176.9222 21 F 3.9726 7.6950 118.1128 60.6050 38.8078 175.5694 22 Y 4.5806 8.2384 113.8471 57.1614 39.6002 176.1626 23 A 4.0337 7.7119 123.0580 54.3198 19.0894 177.5926 24 F 5.5521 7.5316 113.9607 56.1774 40.4471 172.0299 25 Y 5.0071 8.4492 122.9184 56.4409 42.4926 176.2282 26 G 3.4634 7.6828 114.6108 47.3046 0.0000 173.4572 27 C 4.5195 8.9713 114.6743 58.1259 41.0035 174.4463 28 Y 4.4149 8.6303 114.9258 57.7549 39.3230 175.1678 29 C 4.5059 8.2084 119.4389 57.8028 40.8620 172.7755 30 G 4.5954 8.5643 110.4566 44.8193 0.0000 172.8492 31 W 4.0066 9.1160 118.3786 57.6762 30.1658 178.3630 32 G 3.8522 8.4818 108.7107 45.7442 0.0000 170.9361 33 G 3.8740 8.3290 105.4042 43.5360 0.0000 172.7463 34 Q 4.4122 7.1886 121.0264 56.5597 31.2808 174.8085 35 G 4.1724 8.7707 104.6781 46.1762 0.0000 172.5797 36 K 4.8354 8.2028 121.2184 53.4658 35.0147 174.3969 37 P 4.6196 0.0000 0.0000 63.1035 31.7865 176.9865 38 K 3.8903 9.7504 123.3484 59.0490 32.3581 176.3349 39 D 4.5135 7.4928 115.8515 51.4464 41.7658 175.1665 40 G 4.2224 8.8625 106.2201 48.1382 0.0000 175.3170 41 T 3.9937 8.2069 118.2230 66.4839 68.6051 175.9264 42 D 4.5446 8.3502 119.2628 57.3711 41.0607 178.3333 43 R 3.9488 8.2696 119.5996 59.4740 30.1640 177.5566 44 C 4.1065 8.2585 116.4079 60.5995 34.5753 175.7259 45 C 4.3541 8.1874 116.9012 59.7342 35.2583 175.9506 46 F 3.8241 8.0872 122.2089 61.2533 38.9941 177.4027 47 V 3.0967 8.0010 118.2137 66.0247 31.1748 177.3529 48 H 3.8520 7.9394 117.8185 59.1462 29.5300 176.9790 49 D 4.1964 7.7243 120.2179 57.4194 40.4307 178.0098 50 C 4.0152 7.2060 115.5405 60.0389 35.6354 174.8048 51 C 4.1274 8.2779 120.2276 60.3428 41.7664 175.5271 52 Y 4.1713 8.2470 118.2750 60.9366 37.1295 178.8720 53 G 3.6628 8.0159 106.2393 47.6974 0.0000 175.6326 54 R 4.0804 7.7116 118.7183 57.5372 31.1775 177.1875 55 L 4.5187 7.3273 120.8295 53.0582 41.2242 177.1426 56 V 3.5797 7.5995 114.5242 64.6527 32.3977 178.1139 *59 N 5.2227 7.8501 115.0662 52.7675 38.8629 174.2889 *61 C 5.1321 7.8528 114.0414 58.2111 41.4534 172.8860 *67 N 4.8708 8.4271 119.7037 53.1695 38.8201 174.4173 68 T 3.4741 7.7199 111.0745 64.1107 69.2605 176.4311 69 K 4.2883 7.9820 120.8550 57.7707 32.6739 178.3211 70 S 4.6503 7.9835 111.1463 58.5551 64.6169 173.9934 71 D 4.2684 8.1450 121.2813 54.6712 41.1094 175.4728 72 I 4.1296 8.3313 127.8696 60.4051 37.8386 174.8193 73 Y 4.8012 8.5433 124.1164 55.2347 40.5805 174.2548 74 S 5.0573 8.5977 114.0621 56.9008 64.6380 172.3495 75 Y 5.3996 8.0924 123.8120 56.5942 41.2613 173.3435 76 S 4.3144 9.1809 111.6038 57.8047 66.5757 175.3650 77 L 4.8758 8.5091 122.5846 53.6214 40.1506 174.9876 78 K 4.0153 9.0737 120.2758 56.3707 31.9670 176.0766 79 E 3.8472 9.2845 126.5617 58.1918 27.2114 173.8363 80 G 4.0799 8.1009 102.4551 46.1937 0.0000 170.3645 81 Y 4.6256 7.5748 116.2719 55.4958 41.4170 175.0308 82 I 4.3581 8.7447 125.7553 61.9284 37.8538 175.5757 83 T 4.7257 9.4665 124.6484 61.7028 71.6931 173.0173 84 C 4.7500 8.9109 123.8613 56.7919 41.1688 174.0387 85 G 3.9794 9.2300 111.9270 45.1177 0.0000 172.6198 86 K 5.3084 7.8648 120.1597 54.7847 34.1598 174.7523 *88 G 4.2435 8.0484 113.7046 45.3653 0.0000 176.1916 89 T 4.5221 8.3385 115.4336 59.5914 71.7356 174.0607 90 N 4.1988 8.6486 119.9769 57.3189 38.7175 177.6853 91 C 4.2148 8.0553 116.9524 60.0354 39.0563 175.5121 92 E 4.0182 7.7565 119.1656 59.7617 29.2721 179.3880 93 E 3.8811 8.4743 118.6675 59.4735 29.5690 179.6546 94 Q 3.8758 8.3669 118.3180 59.0023 28.8575 178.6883 95 I 3.5927 8.2243 121.1970 64.4641 37.0368 177.6123 96 C 3.0617 7.9570 119.5422 59.2716 42.9759 175.4930 97 E 3.6947 7.7287 119.5829 59.4250 29.0380 178.5789 98 C 4.0346 7.8326 116.2169 60.1272 41.3401 175.8630 99 D 3.3700 7.6934 120.1178 57.0141 40.2375 178.7387 100 R 3.7409 8.2202 119.5494 59.5863 30.0111 178.6215 101 V 3.4529 7.8692 117.8076 65.7664 31.4966 177.7731 102 A 3.4760 7.7729 120.1457 54.9890 17.7208 179.2305 103 A 3.8985 7.8727 119.1910 55.6545 18.3475 179.7689 104 E 4.0874 7.8412 116.9167 59.4217 29.3228 178.6257 105 C 4.1972 7.8581 118.0620 59.4919 38.0331 175.3800 106 F 4.6003 7.8011 119.5495 60.4680 38.4394 177.5316 107 R 3.9167 7.6406 117.5793 59.6858 29.7507 178.8671 108 R 4.0843 8.0936 116.1630 58.3794 30.2918 177.7487 109 N 4.9256 7.7017 114.4565 52.9531 38.9070 176.1970 110 L 4.1404 7.9978 125.5224 58.3514 41.8602 178.8254 111 D 4.4724 8.2819 117.3069 55.7284 39.4836 176.9154 112 T 4.5568 7.7031 107.8697 61.1106 68.9791 173.5775 113 Y 4.0413 7.9677 124.1224 58.0503 39.2050 174.6628 114 N 5.0095 9.2986 126.2104 51.6288 40.6565 174.8449 115 N 4.5879 9.0585 124.1536 56.1090 38.8887 177.3277 116 G 3.5979 7.4124 105.7704 47.4586 0.0000 173.8545 117 Y 4.4864 7.6214 117.3917 58.4872 38.5419 175.4204 118 M 4.2213 7.2549 120.0235 56.4061 32.7369 175.5556 119 F 3.8638 8.7530 124.0202 58.6871 37.0562 174.8992 120 Y 4.2373 8.1438 121.1479 56.7843 39.5766 175.0261 121 R 3.9824 8.0078 126.4611 56.4330 30.7967 177.5336 122 D 4.4189 8.7171 122.6407 56.8943 41.2026 178.2882 *124 S 4.4339 7.9174 112.1913 58.0733 64.6688 174.5932 125 K 4.3208 7.6956 117.9901 57.0216 32.1925 176.2559 126 C 4.8278 7.9500 117.7202 57.0690 40.5747 174.2126 127 T 4.4361 7.6811 117.9840 62.9985 68.0218 174.2245 128 E 4.6627 8.0330 122.6423 55.5427 31.4687 175.3367 129 T 4.0234 8.6138 116.3816 63.9702 68.0784 174.3699 130 S 5.0561 8.5572 122.4312 58.3393 63.2830 174.8353 131 E 4.2173 8.2004 120.5132 56.7827 30.0768 176.0111 132 E 4.8459 8.5365 119.9841 54.8469 32.2120 177.2054 133 C 4.4173 8.6937 118.3764 57.4102 41.4385 173.7866 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 1 N 8.28 4.93 0.00 2.75 2.71 0.00 0.00 7.05 5.78 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 2 L 9.07 4.03 0.00 1.90 1.86 1.25 0.39 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 3 L 9.41 4.33 0.00 1.99 1.76 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.34 4.15 0.00 1.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 5 F 8.29 4.48 0.00 3.34 3.26 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 6 N 8.69 4.08 0.00 2.94 2.87 0.00 0.00 6.68 7.01 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 7 K 7.60 4.02 0.00 1.94 2.13 0.00 1.97 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.56 7.81 8 M 8.05 4.24 0.00 2.15 2.38 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 9 I 7.68 3.64 1.89 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.69 0.00 0.00 10 K 7.81 4.74 0.00 1.92 1.96 0.00 1.54 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.38 7.81 *12 E 7.92 4.30 0.00 2.35 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 2.26 2.37 0.00 13 E 8.90 4.15 0.00 1.97 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 2.44 2.27 0.00 14 T 8.54 4.25 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 15 G 8.24 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 0.00 0.00 0.00 16 K 7.39 4.10 0.00 1.71 0.84 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.50 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.86 1.23 7.81 17 N 7.85 5.01 0.00 3.00 2.90 0.00 0.00 6.67 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 18 A 8.74 4.34 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.75 4.77 1.97 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 1.58 0.71 1.07 0.00 0.00 20 P 0.00 4.96 0.00 2.33 2.62 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.07 0.00 21 F 7.70 3.97 0.00 3.14 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 22 Y 8.24 4.58 0.00 2.77 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 23 A 7.71 4.03 0.62 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 24 F 7.53 5.55 0.00 2.90 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 25 Y 8.45 5.01 0.00 2.89 2.66 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 0.00 0.00 0.00 0.00 26 G 7.68 3.46 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 0.00 27 C 8.97 4.52 0.00 3.12 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 28 Y 8.63 4.41 0.00 3.34 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 29 C 8.21 4.51 0.00 3.34 3.38 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 30 G 8.56 4.60 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 31 W 9.12 4.01 0.00 3.49 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 32 G 8.48 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 33 G 8.33 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 0.00 0.00 0.00 34 Q 7.19 4.41 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 35 G 8.77 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 0.00 0.00 0.00 36 K 8.20 4.84 0.00 1.71 1.61 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.49 7.81 37 P 0.00 4.62 0.00 1.92 2.03 0.00 3.41 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 38 K 9.75 3.89 0.00 0.95 0.74 0.00 1.31 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.05 0.27 7.81 39 D 7.49 4.51 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.86 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 0.00 0.00 0.00 41 T 8.21 3.99 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 0.98 0.00 0.00 42 D 8.35 4.54 0.00 3.04 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 43 R 8.27 3.95 0.00 2.04 2.12 0.00 3.17 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 1.68 1.74 0.00 44 C 8.26 4.11 0.00 3.41 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 45 C 8.19 4.35 0.00 3.43 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 46 F 8.09 3.82 0.00 2.51 3.06 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 47 V 8.00 3.10 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 0.65 0.00 0.00 1.03 0.00 0.00 48 H 7.94 3.85 0.00 3.14 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.72 4.20 0.00 2.90 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 50 C 7.21 4.02 0.00 2.83 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 51 C 8.28 4.13 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.25 4.17 0.00 2.98 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 53 G 8.02 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.71 4.08 0.00 1.96 1.96 0.00 3.10 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 55 L 7.33 4.52 0.00 1.68 1.53 0.86 0.89 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 56 V 7.60 3.58 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 0.93 0.00 0.00 1.02 0.00 0.00 *59 N 7.85 5.22 0.00 2.95 3.06 0.00 0.00 6.71 7.68 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 *61 C 7.85 5.13 0.00 2.91 3.01 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 *67 N 8.43 4.87 0.00 2.80 2.74 0.00 0.00 7.40 7.22 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 68 T 7.72 3.47 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 0.79 0.00 0.00 69 K 7.98 4.29 0.00 1.88 1.98 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.64 1.46 7.81 70 S 7.98 4.65 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 71 D 8.15 4.27 0.00 2.79 2.68 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 0.00 0.00 0.00 72 I 8.33 4.13 1.85 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 1.41 0.66 0.85 0.00 0.00 73 Y 8.54 4.80 0.00 2.99 3.01 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 74 S 8.60 5.06 0.00 3.97 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 75 Y 8.09 5.40 0.00 3.14 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 76 S 9.18 4.31 0.00 3.80 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 77 L 8.51 4.88 0.00 1.58 1.72 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 78 K 9.07 4.02 0.00 1.91 1.83 0.00 1.83 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.42 7.81 79 E 9.28 3.85 0.00 2.10 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 0.00 2.31 2.66 0.00 80 G 8.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 7.57 4.63 0.00 3.17 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 82 I 8.74 4.36 1.91 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 1.46 0.52 0.90 0.00 0.00 83 T 9.47 4.73 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 1.22 0.00 0.00 84 C 8.91 4.75 0.00 2.81 2.95 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 85 G 9.23 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.86 5.31 0.00 1.84 1.69 0.00 1.68 0.00 0.00 2.09 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 *88 G 8.05 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.34 4.52 4.24 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 0.00 0.00 1.22 0.00 0.00 90 N 8.65 4.20 0.00 2.75 2.85 0.00 0.00 6.92 7.65 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 91 C 8.06 4.21 0.00 2.99 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 92 E 7.76 4.02 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 93 E 8.47 3.88 0.00 2.03 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 2.39 2.34 0.00 94 Q 8.37 3.88 0.00 2.36 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 95 I 8.22 3.59 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 1.05 0.00 0.00 96 C 7.96 3.06 0.00 1.77 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 97 E 7.73 3.69 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 98 C 7.83 4.03 0.00 3.08 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 99 D 7.69 3.37 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.22 3.74 0.00 1.80 1.95 0.00 3.38 0.00 0.00 3.04 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 101 V 7.87 3.45 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 0.90 0.00 0.00 0.84 0.00 0.00 102 A 7.77 3.48 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 0.00 103 A 7.87 3.90 1.41 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 0.00 0.00 0.00 0.00 0.00 104 E 7.84 4.09 0.00 2.03 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 2.48 2.35 0.00 105 C 7.86 4.20 0.00 2.89 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 0.00 106 F 7.80 4.60 0.00 3.06 2.66 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 0.00 0.00 0.00 0.00 107 R 7.64 3.92 0.00 1.90 2.01 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 108 R 8.09 4.08 0.00 1.96 2.00 0.00 3.19 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 109 N 7.70 4.93 0.00 2.97 2.91 0.00 0.00 6.46 7.36 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 0.00 110 L 8.00 4.14 0.00 2.07 1.72 0.99 1.20 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 0.00 111 D 8.28 4.47 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.70 4.56 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 1.27 0.00 0.00 113 Y 7.97 4.04 0.00 3.13 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 0.00 114 N 9.30 5.01 0.00 2.83 2.72 0.00 0.00 6.81 6.59 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 0.00 115 N 9.06 4.59 0.00 2.92 2.94 0.00 0.00 6.98 7.66 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 0.00 116 G 7.41 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 0.00 117 Y 7.62 4.49 0.00 2.14 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 0.00 118 M 7.25 4.22 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 1.82 0.00 119 F 8.75 3.86 0.00 3.21 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 0.00 120 Y 8.14 4.24 0.00 3.12 3.06 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 0.00 121 R 8.01 3.98 0.00 1.59 1.69 0.00 3.08 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 122 D 8.72 4.42 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 S 7.92 4.43 0.00 3.98 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 0.00 125 K 7.70 4.32 0.00 1.58 1.85 0.00 1.25 0.00 0.00 0.61 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.18 7.81 126 C 7.95 4.83 0.00 3.23 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.68 4.44 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 1.22 0.00 0.00 128 E 8.03 4.66 0.00 2.09 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 0.00 2.16 2.25 0.00 129 T 8.61 4.02 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 1.23 0.00 0.00 130 S 8.56 5.06 0.00 3.85 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 0.00 131 E 8.20 4.22 0.00 1.41 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.08 0.00 132 E 8.54 4.85 0.00 1.88 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 2.29 0.00 133 C 8.69 4.42 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.