NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.0887 8.4401 121.4730 53.0072 31.4447 175.6234 2 A 4.1516 8.7654 120.5258 51.3800 16.8033 176.4673 3 A 4.2501 9.0487 125.4807 52.5154 20.8439 176.9988 4 V 4.6964 8.3750 120.8520 61.6348 35.3028 173.7924 5 T 4.9238 9.2239 125.0945 61.9382 71.2890 173.1719 6 Q 5.3791 8.7407 125.1837 54.4882 31.8845 174.7840 7 S 4.9946 9.1398 116.9738 56.4980 66.8123 172.6930 8 P 5.0382 0.0000 0.0000 62.1339 32.9452 175.9388 9 R 4.2721 8.4821 115.9022 58.7662 31.0020 176.6978 10 N 6.0101 7.8389 112.8377 50.7105 43.2223 174.2425 11 K 4.3615 8.3408 120.1905 55.6612 35.9202 174.4803 12 V 4.4987 8.6424 127.7785 61.1856 31.9729 174.0688 13 A 4.9635 8.7059 129.0469 49.7761 22.4877 175.2014 14 V 4.6522 7.9591 117.7354 59.6413 34.7828 175.4188 15 T 4.1315 8.3728 118.8880 65.7137 68.7789 174.8625 16 G 3.9556 8.7865 113.6426 45.4650 0.0000 173.8994 17 G 3.8362 8.0732 107.4513 46.2258 0.0000 172.1954 18 K 5.0150 8.3892 120.9941 54.4176 34.0972 175.2891 19 V 4.4228 8.2016 126.6544 61.2937 34.8489 174.1410 20 T 4.8599 8.4381 123.2944 61.8171 71.3152 173.0322 21 L 4.7213 8.0975 126.7454 52.9931 43.8990 175.9729 22 S 5.3052 9.1756 117.4423 56.6711 66.9436 171.9325 23 C 5.5308 8.8386 119.9391 55.0362 44.6474 172.2549 24 N 5.7042 9.4933 123.4105 51.5561 41.6260 173.3781 25 Q 4.8968 9.4034 123.5345 54.5106 32.6363 175.1145 26 T 4.7104 8.1870 113.9824 61.6573 69.5010 174.8336 27 N 4.2162 8.2528 120.3445 54.2165 38.9035 174.7911 28 N 4.2409 7.8933 114.9701 54.6411 37.4020 173.1351 29 H 4.7908 9.5988 113.2495 54.3515 30.3923 175.8356 30 N 4.4679 8.8431 120.8972 56.0508 38.9569 174.8790 31 N 5.5704 7.6161 113.7994 51.8730 40.7752 174.5880 32 M 5.0848 7.3705 119.8644 53.9351 36.8713 173.6312 33 Y 5.3944 9.4118 118.4469 56.1637 43.0933 174.4959 34 W 5.3600 9.3381 121.2308 55.5110 32.4815 174.2391 35 Y 5.6192 10.3017 123.1924 56.1450 41.5648 174.9317 36 R 4.9989 8.8789 117.0243 54.4407 32.7385 174.1556 37 Q 5.1645 9.1593 121.9513 54.7024 32.2565 174.1631 38 D 4.9859 8.6232 124.5811 52.6394 45.3247 174.8056 39 T 4.1773 8.3558 112.7364 63.0194 69.2247 174.8660 40 G 3.9447 9.2910 114.8952 45.3913 0.0000 173.2396 41 H 4.7923 7.8093 114.0206 54.2062 30.8300 176.0275 42 G 3.6482 7.7929 109.1175 46.8545 0.0000 172.2328 43 L 4.8716 8.1975 121.2899 53.4876 43.6130 175.9548 44 R 4.9109 8.6456 120.2220 54.2717 34.5723 174.3378 45 L 3.8670 8.7560 125.4804 55.4051 43.0403 176.4492 46 I 4.1029 8.8586 126.8270 63.0646 39.3288 175.3266 47 H 5.5069 7.9286 116.7657 55.0194 33.5008 172.1539 48 Y 5.1992 8.3545 118.6818 56.0736 42.2312 173.4977 49 S 4.5068 7.8917 111.9724 57.2996 65.9185 174.0540 50 Y 4.3903 9.5522 122.9708 57.1061 38.2114 175.2707 51 G 4.2099 7.4898 109.2771 42.4710 0.0000 172.0925 52 A 4.1625 8.0200 123.0968 54.7621 18.1313 178.0603 53 G 3.9900 9.1929 112.4740 45.0625 0.0000 172.7805 54 S 4.8268 7.9728 114.5608 57.3211 64.1882 173.6512 55 T 4.6208 8.0789 119.4347 62.8697 72.7473 172.8295 56 E 4.6146 8.5987 125.2523 54.3748 34.3072 174.8656 57 K 3.9498 9.0358 123.5654 57.2013 32.4514 177.4028 58 G 4.2839 8.6920 115.6815 46.9460 0.0000 174.7841 59 D 4.8077 8.9267 121.9787 55.2992 41.5771 177.3470 60 I 4.7582 7.0801 110.7949 58.9639 37.3911 173.4347 61 P 4.3420 0.0000 0.0000 66.1115 32.0435 177.3747 62 D 4.2592 8.1764 117.9611 56.4702 41.1214 176.9488 63 G 3.6293 8.8377 112.7255 45.3731 0.0000 172.0379 *65 Y 5.2779 7.1877 115.2696 58.2212 39.4397 174.0784 66 K 4.8463 8.7332 118.6587 55.2321 37.1670 175.1492 67 A 5.4811 8.0233 121.2096 50.7278 22.6948 175.8208 68 S 4.5434 8.4152 113.9950 56.8764 67.5600 173.9111 69 R 5.2226 8.4416 124.4817 53.7551 28.6241 173.8441 70 P 4.2777 0.0000 0.0000 65.2075 32.0473 176.4033 71 S 4.5554 7.6054 107.4260 57.0044 66.1332 174.9167 72 Q 3.9928 8.9149 121.4534 59.6644 28.7812 177.6451 73 E 4.5023 8.5689 116.5936 58.3110 29.5724 176.5784 74 N 6.0948 8.2326 115.1449 50.2809 41.8084 173.7444 75 F 5.5277 8.8233 121.6833 57.1406 42.8126 173.2497 76 S 5.1613 9.0144 122.3568 56.7538 66.1301 173.2046 77 L 4.5037 7.7961 125.3077 53.3706 43.4856 175.0928 78 I 4.4030 8.6263 128.4531 59.6800 38.7347 176.0771 79 L 4.8179 8.2491 125.3801 52.8361 40.1867 177.1612 80 E 3.7533 8.1528 119.4666 59.1942 30.0907 177.7704 81 L 4.6446 7.3085 118.7052 53.0771 43.6142 175.2504 82 A 4.5022 8.7570 128.1421 51.7348 19.8752 176.1472 83 T 5.0093 8.7987 111.3607 58.8567 71.8971 173.4968 84 P 4.6332 0.0000 0.0000 65.5103 31.3294 178.4665 85 S 4.1707 7.3874 113.7000 61.1217 62.9098 175.0121 86 Q 4.5101 8.2682 118.4949 56.2523 28.5777 175.8304 87 T 4.1856 7.8690 116.6146 63.8428 69.0033 174.0904 88 S 4.5593 8.1040 119.3177 58.5939 68.6739 174.6470 89 V 4.8097 7.1165 119.2867 61.4971 33.5828 174.7102 90 Y 5.4159 8.7914 125.3245 56.4694 40.9893 174.8206 91 F 6.2754 10.2969 121.1485 55.0239 43.5520 171.4497 92 C 5.6957 9.1262 116.6209 53.1140 40.3931 172.3656 93 A 5.8264 8.6264 120.6027 49.3684 22.6075 174.9522 94 S 5.1853 8.6651 113.8695 56.8578 65.9814 173.1693 95 G 4.3933 9.2338 107.4822 44.5940 0.0000 173.1287 96 G 4.1112 7.9803 107.4123 45.4530 0.0000 174.1302 97 G 4.2268 8.7841 110.4753 44.6804 0.0000 175.2187 98 G 3.6302 8.2380 104.4232 45.8496 0.0000 173.0862 *105 T 4.0918 8.3907 107.3300 61.3628 71.1930 174.8160 106 L 4.6885 8.0515 123.3657 53.6642 43.9720 175.2207 107 Y 4.4866 8.5129 119.3173 56.2919 40.3756 174.9542 108 F 5.3069 8.9631 122.5964 55.7917 41.5562 176.1771 109 G 3.9877 8.7352 111.2246 44.2517 0.0000 173.4785 110 A 4.3837 8.5671 120.1262 52.1690 18.5824 178.4020 111 G 3.7755 9.5707 101.4954 45.4441 0.0000 173.6453 112 T 4.7409 7.5162 114.4567 62.0914 72.4505 173.7862 113 R 4.6075 8.9964 127.2793 55.9790 31.6698 175.7687 114 L 5.2198 9.2580 125.1805 53.4344 45.8885 174.9932 115 S 5.0430 9.2117 122.2192 56.7458 66.2678 173.0574 116 V 4.6830 9.1559 126.2103 60.5357 33.0582 175.6862 *316 L 4.8462 8.2948 126.8590 55.2014 42.1210 176.9649 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 E 8.44 4.09 0.00 1.93 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 2.19 2.25 0.00 2 A 8.77 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 9.05 4.25 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 4 V 8.37 4.70 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 1.07 0.00 0.00 1.04 0.00 0.00 5 T 9.22 4.92 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 1.25 0.00 0.00 6 Q 8.74 5.38 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 7 S 9.14 4.99 0.00 3.86 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 8 P 0.00 5.04 0.00 2.36 2.14 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 9 R 8.48 4.27 0.00 1.78 2.03 0.00 3.26 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 10 N 7.84 6.01 0.00 2.55 2.66 0.00 0.00 7.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.34 4.36 0.00 1.81 1.58 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.46 7.81 12 V 8.64 4.50 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 0.85 0.00 0.00 0.93 0.00 0.00 13 A 8.71 4.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.96 4.65 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 0.94 0.00 0.00 1.04 0.00 0.00 15 T 8.37 4.13 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 1.23 0.00 0.00 16 G 8.79 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 0.00 0.00 0.00 17 G 8.07 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 18 K 8.39 5.02 0.00 1.68 1.65 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.40 7.81 19 V 8.20 4.42 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 0.79 0.00 0.00 0.85 0.00 0.00 20 T 8.44 4.86 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 1.14 0.00 0.00 21 L 8.10 4.72 0.00 0.79 1.23 0.04 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 22 S 9.18 5.31 0.00 3.92 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 23 C 8.84 5.53 0.00 3.11 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 24 N 9.49 5.70 0.00 2.72 2.69 0.00 0.00 6.02 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 25 Q 9.40 4.90 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 26 T 8.19 4.71 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 1.21 0.00 0.00 27 N 8.25 4.22 0.00 2.98 2.40 0.00 0.00 6.70 6.92 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 28 N 7.89 4.24 0.00 2.74 2.76 0.00 0.00 7.00 7.89 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 29 H 9.60 4.79 0.00 3.28 3.42 0.00 5.73 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 30 N 8.84 4.47 0.00 2.82 2.89 0.00 0.00 7.06 6.92 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 31 N 7.62 5.57 0.00 2.90 2.38 0.00 0.00 6.35 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 32 M 7.37 5.08 0.00 1.69 1.24 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 Y 9.41 5.39 0.00 2.98 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 34 W 9.34 5.36 0.00 3.45 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 35 Y 10.30 5.62 0.00 3.24 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 36 R 8.88 5.00 0.00 1.29 1.52 0.00 2.74 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 37 Q 9.16 5.16 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 38 D 8.62 4.99 0.00 2.63 2.49 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 39 T 8.36 4.18 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 1.22 0.00 0.00 40 G 9.29 3.94 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 0.00 0.00 0.00 41 H 7.81 4.79 0.00 3.15 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.79 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.20 4.87 0.00 1.41 1.42 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.65 4.91 0.00 1.81 1.84 0.00 3.18 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 45 L 8.76 3.87 0.00 1.60 1.50 0.36 1.05 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 46 I 8.86 4.10 1.91 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.63 0.50 0.00 0.00 47 H 7.93 5.51 0.00 3.15 3.34 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.35 5.20 0.00 2.48 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 49 S 7.89 4.51 0.00 3.54 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 Y 9.55 4.39 0.00 2.96 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 51 G 7.49 4.21 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 0.00 52 A 8.02 4.16 1.27 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 0.00 0.00 53 G 9.19 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 54 S 7.97 4.83 0.00 3.86 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 55 T 8.08 4.62 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 1.19 0.00 0.00 56 E 8.60 4.61 0.00 1.22 1.54 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 2.21 2.22 0.00 57 K 9.04 3.95 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.56 7.81 58 G 8.69 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 59 D 8.93 4.81 0.00 2.64 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.08 4.76 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.64 0.96 0.00 0.00 61 P 0.00 4.34 0.00 2.22 2.15 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 62 D 8.18 4.26 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 63 G 8.84 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 0.00 0.00 0.00 *65 Y 7.19 5.28 0.00 2.97 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 66 K 8.73 4.85 0.00 1.61 1.58 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 67 A 8.02 5.48 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 68 S 8.42 4.54 0.00 3.74 3.73 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 69 R 8.44 5.22 0.00 2.05 1.91 0.00 3.40 0.00 0.00 2.81 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 70 P 0.00 4.28 0.00 2.12 2.15 0.00 4.19 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 71 S 7.61 4.56 0.00 3.95 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 72 Q 8.91 3.99 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.11 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 73 E 8.57 4.50 0.00 2.03 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 2.41 2.34 0.00 74 N 8.23 6.09 0.00 3.00 3.01 0.00 0.00 6.15 8.00 0.00 0.00 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 F 8.82 5.53 0.00 2.96 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 76 S 9.01 5.16 0.00 3.76 3.75 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 77 L 7.80 4.50 0.00 0.27 0.23 0.56 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.63 4.40 1.78 0.00 0.00 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 1.15 0.20 0.86 0.00 0.00 79 L 8.25 4.82 0.00 1.54 1.41 0.74 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.15 3.75 0.00 1.89 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 2.28 2.28 0.00 81 L 7.31 4.64 0.00 1.53 1.45 0.88 0.95 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 82 A 8.76 4.50 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 83 T 8.80 5.01 4.21 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 1.15 0.00 0.00 84 P 0.00 4.63 0.00 2.24 2.47 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 85 S 7.39 4.17 0.00 4.15 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 86 Q 8.27 4.51 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 87 T 7.87 4.19 4.36 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 1.31 0.00 0.00 88 S 8.10 4.56 0.00 3.89 3.40 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 89 V 7.12 4.81 2.11 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 0.47 0.00 0.00 0.94 0.00 0.00 90 Y 8.79 5.42 0.00 3.15 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 91 F 10.30 6.28 0.00 3.15 3.13 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 0.00 0.00 0.00 0.00 92 C 9.13 5.70 0.00 2.37 1.18 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 93 A 8.63 5.83 0.71 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 0.00 0.00 94 S 8.67 5.19 0.00 3.96 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 95 G 9.23 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 0.00 0.00 0.00 0.00 96 G 7.98 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 0.00 0.00 0.00 97 G 8.78 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 0.00 0.00 0.00 0.00 98 G 8.24 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 0.00 0.00 0.00 *105 T 8.39 4.09 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 1.13 0.00 0.00 106 L 8.05 4.69 0.00 0.91 0.98 0.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.51 4.49 0.00 2.91 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 0.00 108 F 8.96 5.31 0.00 2.80 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 0.00 109 G 8.74 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 0.00 110 A 8.57 4.38 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 0.00 111 G 9.57 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 7.52 4.74 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 1.29 0.00 0.00 113 R 9.00 4.61 0.00 1.90 1.87 0.00 3.08 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 114 L 9.26 5.22 0.00 1.76 1.85 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 115 S 9.21 5.04 0.00 3.77 3.73 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 0.00 116 V 9.16 4.68 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 1.30 0.00 0.00 0.94 0.00 0.00 *316 L 8.29 4.85 0.00 1.71 1.59 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.