NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 D 4.5768 8.3644 120.5251 52.7332 43.1983 174.7024 5 R 4.4584 7.9738 118.7720 56.0346 32.0341 174.2839 6 L 4.9840 7.6513 117.4356 54.1614 43.4317 176.2308 7 T 4.0468 8.6151 111.5268 61.7835 69.8461 175.2566 8 N 4.2970 8.8791 119.9651 56.5088 38.5290 177.6594 9 K 3.9242 8.0454 119.1899 59.5209 32.2413 178.8367 10 F 4.2511 8.1271 120.3085 61.5958 39.4146 177.0464 11 Q 3.9897 8.5727 117.9632 59.0798 28.4940 178.9956 12 L 4.0153 8.2629 119.8029 57.7128 41.6182 179.4125 13 A 4.0041 8.3155 120.9047 54.9847 18.2871 179.4292 14 L 3.8769 8.2114 118.7089 58.2090 42.2628 179.0992 15 A 3.9946 7.9344 120.3957 55.2534 18.3400 179.3330 16 D 4.2867 8.2486 117.2281 57.4200 40.9123 178.7519 17 A 4.0206 8.4661 121.6052 55.2091 18.2740 179.3710 18 Q 3.8904 8.1048 118.1791 59.4850 29.1919 178.8809 19 S 4.0959 7.9964 114.8476 61.2118 62.5095 176.5318 20 L 3.9532 7.9901 122.5345 57.5378 41.3441 179.1745 21 A 3.7518 7.8979 120.6681 55.0644 18.3051 179.3400 22 L 3.9500 8.1578 119.2017 58.2590 41.9696 179.0914 23 G 3.7877 8.0432 103.3177 46.4659 0.0000 174.0674 24 H 4.8519 7.2349 116.0910 54.3571 30.0607 173.2462 25 D 4.4254 8.0026 120.1738 55.3124 38.8387 173.2618 26 N 5.0896 8.1534 115.5806 52.9472 39.4384 176.1384 27 Q 3.9587 8.5447 120.2762 57.6360 29.3405 175.8740 28 F 5.1832 7.6889 114.4564 55.6101 43.6272 174.2179 29 I 4.2231 9.1068 122.6254 61.0372 38.2074 175.4713 30 E 4.9528 9.1256 126.3177 53.9761 31.9482 175.4284 31 P 4.5473 0.0000 0.0000 65.8780 31.7753 179.0955 32 L 4.1613 8.1064 117.1599 58.1978 42.0521 178.1329 33 H 4.3752 8.2503 115.7361 58.9693 28.8116 178.2436 34 L 4.0269 7.6138 118.3003 55.3820 41.4248 178.5099 *36 S 4.3132 8.2886 113.0031 57.7758 64.0826 175.4804 37 A 4.0037 8.1013 121.7929 55.2730 18.3191 178.7633 38 L 4.1154 8.2294 116.1728 57.8205 41.9095 179.8150 39 L 3.9796 7.9594 117.4966 57.5010 41.6781 177.4413 40 N 4.6534 7.9701 113.3184 52.9403 38.8642 174.5673 41 Q 4.1569 7.6146 122.0477 54.6881 29.1584 174.8230 42 E 4.0640 8.6847 127.1763 57.7946 29.9701 176.7789 43 G 3.9033 9.0358 113.6244 45.6601 0.0000 173.6028 44 G 3.8180 7.7301 108.3954 45.0073 0.0000 175.2496 45 S 4.3391 8.4145 115.2904 59.9443 63.4115 176.7667 46 V 3.5852 7.6442 122.3358 65.9655 31.3131 177.6609 47 S 4.1083 8.0152 114.4051 61.4209 62.7742 174.9240 48 P 4.2811 0.0000 0.0000 65.1211 31.0685 178.3501 49 L 3.9147 7.9437 119.3678 58.2385 41.9252 179.0687 50 L 3.9632 8.0262 118.7185 58.1277 41.5970 179.5448 51 T 3.8407 7.8919 115.5671 66.7980 68.1962 176.4196 52 S 4.0784 8.2513 113.7031 61.3784 62.5535 175.6369 53 A 4.2471 7.8618 120.7961 52.6096 18.1963 177.8812 54 G 3.7900 7.8492 105.2598 45.9832 0.0000 173.4185 55 I 4.0668 7.7387 120.5573 59.7825 38.2212 176.4200 56 N 4.5021 8.1817 123.8815 52.8915 38.4900 175.1760 57 A 4.1196 8.6139 131.0267 55.0750 18.6046 179.0713 58 G 3.5646 8.0302 103.6332 48.1206 0.0000 175.5777 59 Q 4.0146 7.9906 121.6737 58.4969 29.0874 177.6289 60 L 3.9247 7.9868 121.5570 58.0804 42.0616 178.8631 61 R 3.8829 8.3069 118.9654 59.7614 30.0140 178.5690 62 T 3.8522 7.7405 114.8623 66.9083 68.5195 176.4159 63 D 4.3972 8.4511 121.0876 57.3375 40.6988 178.9965 64 I 3.7417 8.1229 120.7388 64.4842 37.1137 178.2469 65 N 4.3555 8.4486 117.5634 56.3457 38.1017 177.5404 66 Q 3.9696 7.9807 118.4515 58.8881 29.1019 178.3465 67 A 4.1280 8.1273 121.7859 55.0265 18.3915 179.5405 68 L 3.8631 8.2164 117.9032 58.1083 41.5379 179.3681 69 N 4.3273 7.9308 115.2806 56.2797 38.8892 176.4405 70 R 4.1526 7.6696 117.9919 56.8433 30.7722 176.9814 71 L 4.1779 7.0980 119.0976 53.6928 42.2341 175.3218 72 P 4.3968 0.0000 0.0000 62.8112 31.9105 175.7791 73 Q 4.5900 8.4294 120.8448 55.0646 30.9827 174.4299 74 V 2.9417 8.8556 123.6163 63.3845 30.1529 171.5034 *80 D 4.5957 8.5152 124.7259 53.5745 42.6733 175.9382 81 V 4.2919 7.4715 109.4862 59.5550 34.0956 174.0415 82 Q 4.8325 7.9040 118.3247 53.4008 32.3353 172.7439 83 P 5.0276 0.0000 0.0000 62.6500 32.1959 177.0110 84 S 4.2415 9.0295 118.6173 57.6156 64.5083 175.0268 85 Q 3.9368 8.4699 120.3622 59.4252 28.5861 177.9072 86 D 4.3482 7.9558 119.5043 57.2128 40.8226 178.3478 87 L 4.0392 7.9228 120.6408 57.9569 42.1296 178.9840 88 V 3.5856 7.8941 118.2777 66.1495 31.5661 177.9172 89 R 3.8951 8.2971 118.6121 59.5867 29.9419 178.6757 90 V 3.6800 8.1066 118.1195 65.9631 31.5276 178.0427 91 L 4.2434 8.4691 119.1904 57.7026 41.4608 179.1663 92 N 4.4063 8.3522 116.7523 56.1095 38.3822 177.2163 93 L 4.0356 7.9001 121.6727 58.1518 42.1502 178.7510 94 C 4.2289 8.2043 116.9387 62.7931 28.0780 175.5383 95 D 4.3318 8.1850 119.6112 57.2965 40.7872 178.2546 96 K 4.1309 8.0988 120.1117 59.5328 32.2055 178.7966 97 L 4.0206 8.4531 119.5761 57.6486 41.4198 179.3691 98 A 4.0615 8.2421 120.8523 55.1924 18.0994 179.7425 99 Q 3.9161 8.0272 115.6950 58.9867 28.8756 178.5558 100 K 4.0723 8.2084 119.9993 59.4949 32.2886 178.5588 101 R 4.1056 7.9115 118.3675 57.6673 30.0944 177.2189 102 G 4.0256 8.5072 106.3074 45.7063 0.0000 172.5626 103 D 4.8223 7.8121 118.5035 52.4977 42.1889 176.8126 104 N 4.3290 8.8415 121.7722 55.6858 39.3244 174.1973 105 F 5.0204 7.9296 114.2549 55.5330 43.6349 174.3744 106 I 4.5636 8.6318 121.3223 60.2186 38.5595 175.8156 107 S 4.9870 8.7347 122.0331 57.1388 65.0328 175.6162 108 S 3.2655 8.6921 117.1155 61.4667 62.6703 176.8195 109 E 4.0062 8.2104 119.7396 59.3840 29.0823 179.1256 110 L 4.1085 8.0309 118.7162 57.3166 41.5165 179.2971 111 F 4.2632 7.9974 120.7192 61.1504 39.2971 177.2394 112 V 3.2947 7.7398 117.3875 65.8068 31.4092 177.5644 113 L 3.8474 7.5532 119.1369 58.0981 41.7358 178.7431 114 A 3.9415 8.0511 119.5705 55.0372 18.6573 179.0794 115 A 3.8739 7.8779 119.5911 55.1723 18.5460 179.5905 116 L 3.8525 7.7045 118.7888 58.2782 41.9867 178.5952 117 E 4.2582 8.0568 115.9860 57.8778 29.6932 178.1841 118 S 4.3548 7.6641 113.6654 57.7240 64.6158 173.9211 119 R 3.7217 7.2462 118.7174 57.3666 28.2034 174.6852 120 G 4.3725 7.0417 108.1661 44.3202 0.0000 171.8056 121 T 3.8446 8.6037 114.6364 66.6604 68.4439 176.1308 122 L 3.9190 7.8775 121.5609 57.9698 42.2250 178.5916 123 A 3.9389 7.9143 120.2506 55.2315 18.3574 179.0436 124 D 4.3056 8.1507 117.2641 57.7489 40.8208 179.2690 125 I 3.7221 7.8803 120.1412 64.2675 37.0977 178.4936 126 L 3.9861 8.3048 120.2759 57.8856 41.5001 179.8415 127 K 4.2856 8.4668 119.3549 58.7221 31.6900 179.2870 128 A 4.0387 7.7903 120.2493 54.3302 18.1147 178.4435 129 A 4.4368 7.6245 117.8300 51.9782 19.0274 178.4353 130 G 3.7590 7.9799 105.9894 44.9021 0.0000 174.2641 131 A 4.2207 8.0689 123.3866 52.2474 19.2604 177.0260 132 T 4.6579 8.2449 116.2535 61.1073 74.1526 175.6753 133 T 3.8500 8.3685 118.7394 66.6653 68.3995 176.9420 134 A 3.9326 7.8672 122.4255 55.2905 18.6613 179.3666 135 N 4.3107 8.0697 114.9017 55.9555 37.3848 177.3624 136 I 3.7111 7.7624 122.3469 64.5454 37.2364 178.3951 137 T 3.8811 7.8841 116.6522 66.5804 68.1649 176.5023 138 Q 3.9279 8.3975 121.5889 59.1333 28.9076 178.0774 139 A 3.9749 8.2031 120.8341 55.3220 18.4878 179.2985 140 I 3.8029 7.9679 117.6535 64.5555 37.1988 178.2390 141 E 4.1246 7.9985 118.6040 59.3507 29.4071 177.6060 142 Q 4.2974 8.1623 121.5820 56.2206 28.9180 176.1148 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 4 D 8.36 4.58 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.97 4.46 0.00 1.89 1.79 0.00 3.06 0.00 0.00 3.13 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 6 L 7.65 4.98 0.00 1.44 1.33 0.14 0.40 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 7 T 8.62 4.05 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 1.36 0.00 0.00 8 N 8.88 4.30 0.00 2.80 2.90 0.00 0.00 6.83 7.88 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 9 K 8.05 3.92 0.00 1.79 2.03 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.53 1.45 7.81 10 F 8.13 4.25 0.00 3.12 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 11 Q 8.57 3.99 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.70 0.00 12 L 8.26 4.02 0.00 1.88 1.72 0.92 0.57 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 13 A 8.32 4.00 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 14 L 8.21 3.88 0.00 1.99 1.66 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.93 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.25 4.29 0.00 2.95 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 17 A 8.47 4.02 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 18 Q 8.10 3.89 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 19 S 8.00 4.10 0.00 4.11 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 20 L 7.99 3.95 0.00 1.96 1.84 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.90 3.75 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 3.95 0.00 1.78 1.80 0.89 1.25 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 23 G 8.04 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 0.00 0.00 0.00 0.00 24 H 7.23 4.85 0.00 2.97 3.30 0.00 5.82 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.00 4.43 0.00 2.90 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 26 N 8.15 5.09 0.00 2.87 2.85 0.00 0.00 6.87 7.70 0.00 0.00 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 Q 8.54 3.96 0.00 1.82 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 28 F 7.69 5.18 0.00 3.04 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 29 I 9.11 4.22 1.95 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 1.23 0.79 0.96 0.00 0.00 30 E 9.13 4.95 0.00 1.90 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 2.63 2.32 0.00 31 P 0.00 4.55 0.00 2.26 2.28 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 32 L 8.11 4.16 0.00 1.58 1.70 0.90 1.07 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 33 H 8.25 4.38 0.00 3.43 3.50 0.00 5.62 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 34 L 7.61 4.03 0.00 1.71 1.70 0.83 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 *36 S 8.29 4.31 0.00 3.96 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 A 8.10 4.00 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 L 8.23 4.12 0.00 1.68 1.67 0.49 0.66 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 39 L 7.96 3.98 0.00 1.81 1.74 0.94 1.00 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 40 N 7.97 4.65 0.00 2.73 2.84 0.00 0.00 6.99 7.76 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 41 Q 7.61 4.16 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 42 E 8.68 4.06 0.00 1.94 1.85 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 2.29 2.37 0.00 43 G 9.04 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 0.00 0.00 0.00 44 G 7.73 3.82 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 0.00 0.00 0.00 45 S 8.41 4.34 0.00 4.19 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.64 3.59 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 1.07 0.00 0.00 0.88 0.00 0.00 47 S 8.02 4.11 0.00 3.90 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 48 P 0.00 4.28 0.00 2.15 2.09 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 49 L 7.94 3.91 0.00 1.82 1.83 0.92 0.46 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 50 L 8.03 3.96 0.00 1.89 1.70 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.89 3.84 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 S 8.25 4.08 0.00 3.88 4.07 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 0.00 0.00 0.00 53 A 7.86 4.25 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 54 G 7.85 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 0.00 0.00 0.00 0.00 55 I 7.74 4.07 1.95 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 1.17 0.61 0.98 0.00 0.00 56 N 8.18 4.50 0.00 2.98 2.73 0.00 0.00 6.75 7.88 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 57 A 8.61 4.12 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 58 G 8.03 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.99 4.01 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 60 L 7.99 3.92 0.00 1.81 1.83 0.92 0.72 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 61 R 8.31 3.88 0.00 1.98 2.09 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 62 T 7.74 3.85 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 1.21 0.00 0.00 63 D 8.45 4.40 0.00 2.66 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 64 I 8.12 3.74 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.93 0.00 0.00 65 N 8.45 4.36 0.00 2.85 2.87 0.00 0.00 7.07 8.22 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 66 Q 7.98 3.97 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 67 A 8.13 4.13 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 68 L 8.22 3.86 0.00 1.85 1.67 0.95 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.93 4.33 0.00 2.69 3.02 0.00 0.00 7.32 7.77 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 70 R 7.67 4.15 0.00 2.02 1.97 0.00 3.22 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 71 L 7.10 4.18 0.00 1.77 1.65 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.40 0.00 2.10 2.02 0.00 3.69 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 2.07 2.14 0.00 73 Q 8.43 4.59 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.29 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 74 V 8.86 2.94 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 0.68 0.00 0.00 0.94 0.00 0.00 *80 D 8.52 4.60 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 7.47 4.29 2.09 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 0.75 0.00 0.00 0.88 0.00 0.00 82 Q 7.90 4.83 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 83 P 0.00 5.03 0.00 2.01 2.08 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 84 S 9.03 4.24 0.00 3.68 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.47 3.94 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 86 D 7.96 4.35 0.00 2.72 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 87 L 7.92 4.04 0.00 1.97 1.87 1.08 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.89 3.59 2.28 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 0.95 0.00 0.00 0.97 0.00 0.00 89 R 8.30 3.90 0.00 1.98 2.10 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 90 V 8.11 3.68 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 0.97 0.00 0.00 91 L 8.47 4.24 0.00 1.75 1.71 0.91 0.95 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 92 N 8.35 4.41 0.00 2.92 2.87 0.00 0.00 6.56 6.02 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 93 L 7.90 4.04 0.00 1.81 1.86 0.93 0.90 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 94 C 8.20 4.23 0.00 3.39 3.17 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 95 D 8.18 4.33 0.00 2.81 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 96 K 8.10 4.13 0.00 1.89 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 97 L 8.45 4.02 0.00 1.91 1.73 0.94 0.60 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 98 A 8.24 4.06 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 99 Q 8.03 3.92 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 100 K 8.21 4.07 0.00 1.71 2.00 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 101 R 7.91 4.11 0.00 1.86 2.21 0.00 3.34 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 102 G 8.51 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 7.81 4.82 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.84 4.33 0.00 2.72 3.03 0.00 0.00 6.87 7.02 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 0.00 105 F 7.93 5.02 0.00 2.92 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 0.00 106 I 8.63 4.56 1.94 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 1.35 0.78 1.15 0.00 0.00 107 S 8.73 4.99 0.00 3.95 4.07 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 0.00 0.00 0.00 108 S 8.69 3.27 0.00 3.74 3.59 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 0.00 109 E 8.21 4.01 0.00 2.02 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 2.39 2.40 0.00 110 L 8.03 4.11 0.00 2.01 1.81 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.00 4.26 0.00 3.06 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 0.00 112 V 7.74 3.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 113 L 7.55 3.85 0.00 1.79 1.80 0.95 0.98 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 0.00 114 A 8.05 3.94 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 0.00 115 A 7.88 3.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.70 3.85 0.00 1.86 1.82 0.88 1.05 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 0.00 117 E 8.06 4.26 0.00 1.97 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 2.32 2.65 0.00 118 S 7.66 4.35 0.00 3.93 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 0.00 119 R 7.25 3.72 0.00 1.95 1.90 0.00 3.25 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 120 G 7.04 4.37 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 0.00 121 T 8.60 3.84 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 1.21 0.00 0.00 122 L 7.88 3.92 0.00 1.75 1.61 0.93 1.18 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 0.00 123 A 7.91 3.94 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 0.00 124 D 8.15 4.31 0.00 2.90 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 0.00 125 I 7.88 3.72 1.98 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 1.52 1.03 0.91 0.00 0.00 126 L 8.30 3.99 0.00 1.75 1.68 0.81 0.70 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 0.00 127 K 8.47 4.29 0.00 1.95 1.84 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.41 7.81 128 A 7.79 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 0.00 129 A 7.62 4.44 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 0.00 130 G 7.98 3.76 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 0.00 0.00 0.00 131 A 8.07 4.22 1.29 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 0.00 0.00 132 T 8.24 4.66 4.23 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 1.23 0.00 0.00 133 T 8.37 3.85 4.23 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 1.20 0.00 0.00 134 A 7.87 3.93 1.30 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 0.00 135 N 8.07 4.31 0.00 3.00 3.08 0.00 0.00 6.14 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 0.00 136 I 7.76 3.71 1.92 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 1.72 0.83 0.89 0.00 0.00 137 T 7.88 3.88 4.38 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 1.25 0.00 0.00 138 Q 8.40 3.93 0.00 2.25 2.09 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 2.35 2.52 0.00 139 A 8.20 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.97 3.80 2.04 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 1.53 0.76 0.92 0.00 0.00 141 E 8.00 4.12 0.00 2.14 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 2.35 2.69 0.00 142 Q 8.16 4.30 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.