NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2270 7.8833 121.4001 61.2491 39.0619 174.1145 3 V 4.6318 8.4571 120.7053 58.7898 34.1966 173.5667 4 T 4.6600 8.7910 119.5509 60.3560 71.1980 174.0401 5 T 4.5913 8.8126 116.4805 62.4657 69.4165 174.5562 6 T 4.4008 7.7665 113.6428 60.9507 70.0820 175.9130 7 S 4.4325 8.5504 117.8987 60.5104 63.2088 174.0428 8 G 4.1096 7.6437 107.1839 44.4898 0.0000 172.2513 9 I 4.2544 7.9554 119.5753 58.8888 37.3006 175.1972 10 Q 4.0904 8.5014 123.7141 57.6639 28.9378 178.6234 11 G 4.0387 8.9748 109.5054 45.3527 0.0000 173.3769 12 K 4.6605 7.8309 118.0015 54.4554 35.3137 175.1169 13 E 4.6017 8.3491 120.5471 54.5840 31.3989 175.4422 14 I 4.2798 8.1568 124.4335 61.0470 37.7764 175.6984 15 I 4.1162 8.9700 128.0911 63.2538 38.0206 176.3731 16 E 4.6299 7.7115 121.4874 54.6656 33.2816 174.0549 17 Y 4.4901 8.8348 124.6114 57.2237 37.6831 175.7005 18 I 3.9708 8.7897 125.9531 63.3644 37.6696 175.9540 19 D 4.5252 7.5995 118.3827 53.4508 44.6539 173.8864 20 I 4.5566 8.4371 123.5455 61.0678 37.9085 175.9646 21 V 4.6006 8.7976 120.2626 59.8405 34.9400 174.4973 22 N 5.4936 8.5396 118.1988 51.9592 42.8994 174.1591 23 G 4.7024 8.9055 107.2998 43.8274 0.0000 171.2839 24 E 5.4531 9.3313 120.3810 54.5823 33.8903 175.0302 25 A 4.6276 8.6540 121.7999 51.2748 22.4541 176.3165 26 I 4.9245 7.5387 122.6677 58.7867 40.2379 175.7185 *28 G 3.7324 8.2784 105.9985 45.0713 0.0000 173.3342 29 A 4.7330 8.3158 124.2337 54.5638 18.2836 180.1489 30 N 4.2784 8.0678 114.2497 56.5596 38.7927 177.4937 31 I 3.7488 7.7156 120.6689 64.4605 37.1945 178.5557 32 V 3.5824 7.8606 119.0308 66.2444 31.0883 177.3634 33 R 3.8958 8.0190 117.3293 59.9369 29.8708 177.6813 34 D 4.5393 8.9200 119.3272 57.1390 41.1484 178.2576 35 L 4.4595 7.9286 117.2256 56.3552 42.8741 178.1514 36 F 4.0385 8.2365 116.6102 60.1238 39.3534 177.2711 37 A 4.4551 8.2914 120.4070 52.9124 18.5948 178.5983 38 S 4.2275 8.2463 111.1773 61.0811 63.5170 175.2290 39 V 3.4181 6.7693 117.5485 62.8518 31.6474 175.2373 40 R 4.5171 8.7012 125.1291 56.9548 33.3166 176.5307 41 D 4.5332 8.3804 111.5270 53.8492 41.1568 177.9739 42 V 4.2777 5.5892 114.9970 60.8020 33.8943 173.6371 43 V 4.2862 8.3782 126.6842 60.8399 33.6218 175.4343 44 G 4.0006 8.5341 116.5485 44.5220 0.0000 174.1776 45 G 3.3358 8.4751 107.7290 48.3243 0.0000 175.5600 46 R 3.8850 7.9821 117.9459 58.6637 30.2118 177.5355 47 A 4.2310 7.7915 118.7968 53.0472 19.8201 177.3576 48 G 3.7185 7.6451 106.2801 44.3399 0.0000 175.2221 49 S 4.1644 8.4743 118.2483 60.2776 63.7199 175.7731 50 Y 4.1463 7.7581 120.1931 59.7290 37.1203 178.1046 51 E 3.6948 7.2179 121.2304 59.1433 29.6850 178.5651 52 S 3.8302 7.3100 113.4779 61.5735 62.7427 176.8336 53 K 4.0155 7.9311 121.2557 59.0064 32.0552 178.7708 54 L 4.1312 8.1670 120.6420 58.2401 42.0495 178.9358 55 K 3.9801 8.9497 120.6011 59.3782 32.0532 178.0438 56 E 3.8864 8.4662 119.7285 59.3883 29.5565 178.5205 57 A 4.0197 8.5776 120.7989 55.4415 18.2668 179.5818 58 R 3.9135 8.2810 116.0104 59.7327 30.2055 178.1682 59 D 4.5125 8.4624 118.3359 57.2197 41.1087 178.2624 60 I 3.9024 8.2018 120.6147 64.3603 37.1995 178.5804 61 A 4.1233 7.8934 117.1388 53.3897 17.8192 178.6190 *63 D 4.4896 8.0092 122.0485 55.7454 43.1111 178.0068 64 E 4.0127 8.1713 115.9461 57.0457 29.2198 178.3355 *66 K 4.2246 8.1800 117.8971 56.0523 34.2139 177.8054 67 E 3.9027 8.2211 118.9260 59.2427 28.9532 178.6091 68 L 4.1048 7.9311 119.7888 57.9626 42.1095 178.8130 69 A 4.0475 7.9167 120.5056 54.5514 18.3423 179.3470 70 K 3.8134 8.2833 118.6046 59.8067 32.1076 178.6857 71 Q 4.0114 8.1993 117.3314 59.2528 28.8462 179.1786 72 K 4.3120 7.5073 114.6152 56.4214 32.2388 178.0367 73 G 3.8495 8.2048 107.8891 45.3805 0.0000 174.0542 74 A 4.2096 7.6680 122.2684 52.1459 18.8220 177.4148 75 N 5.1648 8.5937 115.7704 52.1875 38.6216 173.9277 76 A 4.8667 7.7436 119.5768 51.1572 23.1516 175.6217 77 I 4.8973 9.2015 121.4280 59.6629 40.3588 175.4117 78 V 4.6973 8.5441 119.6280 58.9890 35.9323 175.4020 79 G 3.9958 8.8621 107.9972 46.7239 0.0000 173.8964 80 V 4.2257 7.7289 118.6493 62.4262 33.3282 174.5416 81 D 4.9249 9.0884 126.2432 52.4230 44.7363 173.9891 82 V 4.5376 8.4099 124.8991 61.1365 33.3390 174.0586 83 D 4.8840 8.7110 126.8516 52.5194 44.8791 173.7246 84 Y 5.1074 8.4043 120.1451 56.3078 41.4244 174.8275 85 E 4.6903 8.5955 121.5887 54.5202 34.3416 175.0854 86 V 3.8284 8.5528 123.9186 62.6693 31.0925 175.3127 87 V 3.9942 8.2323 127.7021 63.9027 32.2596 175.6327 88 R 4.5271 7.4012 116.8579 53.6825 33.1529 172.4565 89 D 4.2376 8.5943 121.9855 57.0040 41.0076 177.0885 90 G 3.6220 8.4014 118.5424 45.7521 0.0000 170.3840 *92 L 4.5499 7.7178 119.3855 54.3324 43.5890 174.5066 *94 V 4.2305 7.9265 117.3214 61.5277 32.8652 174.1847 95 A 5.1549 8.7203 127.3065 49.9583 21.7427 175.1065 96 V 4.9012 8.9616 116.3038 59.6256 34.9725 175.1295 97 S 5.0741 8.6172 117.4532 57.0215 67.2684 172.8597 98 G 4.3768 7.9300 106.3177 46.4922 0.0000 171.8227 99 T 5.0665 8.5013 116.7318 61.3060 70.8035 174.3503 100 A 4.6148 8.8150 130.1611 52.0945 19.5098 176.3765 101 V 4.6622 8.9301 122.0859 61.2432 35.9998 173.7220 102 R 4.9927 8.7259 127.0099 54.5241 31.8434 176.1872 103 I 4.7886 9.0563 119.3095 60.3852 37.8399 175.4922 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 I 7.88 4.23 1.86 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 1.34 0.65 0.90 0.00 0.00 3 V 8.46 4.63 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 0.93 0.00 0.00 4 T 8.79 4.66 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 5 T 8.81 4.59 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 1.25 0.00 0.00 6 T 7.77 4.40 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 7 S 8.55 4.43 0.00 3.91 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 8 G 7.64 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 9 I 7.96 4.25 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 1.40 0.77 0.90 0.00 0.00 10 Q 8.50 4.09 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 11 G 8.97 4.04 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 0.00 12 K 7.83 4.66 0.00 1.82 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.35 7.81 13 E 8.35 4.60 0.00 1.99 1.83 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 2.31 2.29 0.00 14 I 8.16 4.28 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.37 0.04 0.00 0.00 15 I 8.97 4.12 1.94 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 1.10 0.35 0.90 0.00 0.00 16 E 7.71 4.63 0.00 1.97 1.68 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 2.29 2.36 0.00 17 Y 8.83 4.49 0.00 2.87 2.96 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 18 I 8.79 3.97 2.00 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 1.11 0.45 0.92 0.00 0.00 19 D 7.60 4.53 0.00 2.76 2.45 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 0.00 0.00 0.00 0.00 20 I 8.44 4.56 1.88 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 1.36 0.69 0.92 0.00 0.00 21 V 8.80 4.60 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 0.75 0.00 0.00 0.97 0.00 0.00 22 N 8.54 5.49 0.00 2.53 2.74 0.00 0.00 6.64 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 23 G 8.91 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 9.33 5.45 0.00 1.78 1.80 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 2.22 2.26 0.00 25 A 8.65 4.63 1.24 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 26 I 7.54 4.92 1.87 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 1.30 1.37 0.90 0.00 0.00 *28 G 8.28 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 0.00 0.00 0.00 29 A 8.32 4.73 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 30 N 8.07 4.28 0.00 2.83 2.89 0.00 0.00 7.15 7.32 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 31 I 7.72 3.75 2.03 0.00 0.00 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 1.55 1.24 1.05 0.00 0.00 32 V 7.86 3.58 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 0.86 0.00 0.00 0.68 0.00 0.00 33 R 8.02 3.90 0.00 2.13 2.11 0.00 3.33 0.00 0.00 3.23 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 34 D 8.92 4.54 0.00 2.69 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 35 L 7.93 4.46 0.00 1.99 1.78 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.24 4.04 0.00 3.18 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 37 A 8.29 4.46 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.25 4.23 0.00 4.01 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 39 V 6.77 3.42 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 0.75 0.00 0.00 0.93 0.00 0.00 40 R 8.70 4.52 0.00 1.82 1.94 0.00 3.21 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 41 D 8.38 4.53 0.00 2.59 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 0.00 0.00 0.00 0.00 42 V 5.59 4.28 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 43 V 8.38 4.29 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 0.95 0.00 0.00 0.96 0.00 0.00 44 G 8.53 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 0.00 0.00 0.00 45 G 8.48 3.34 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 0.00 0.00 0.00 46 R 7.98 3.89 0.00 1.76 1.96 0.00 3.18 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 47 A 7.79 4.23 1.24 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 48 G 7.65 3.72 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 0.00 0.00 0.00 49 S 8.47 4.16 0.00 3.98 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 50 Y 7.76 4.15 0.00 1.63 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 E 7.22 3.69 0.00 1.62 1.71 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 2.06 2.25 0.00 52 S 7.31 3.83 0.00 4.11 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 53 K 7.93 4.02 0.00 2.09 2.05 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.52 7.81 54 L 8.17 4.13 0.00 2.24 1.96 1.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.95 3.98 0.00 1.93 1.80 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.48 7.81 56 E 8.47 3.89 0.00 2.20 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 0.00 2.34 2.37 0.00 57 A 8.58 4.02 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 58 R 8.28 3.91 0.00 2.08 2.17 0.00 3.39 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 59 D 8.46 4.51 0.00 2.89 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 60 I 8.20 3.90 2.06 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 1.47 0.89 0.92 0.00 0.00 61 A 7.89 4.12 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 *63 D 8.01 4.49 0.00 2.82 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 64 E 8.17 4.01 0.00 2.09 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 2.30 2.29 0.00 *66 K 8.18 4.22 0.00 2.04 1.87 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.43 7.81 67 E 8.22 3.90 0.00 2.09 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 0.00 2.31 2.36 0.00 68 L 7.93 4.10 0.00 1.92 1.69 0.92 0.89 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 69 A 7.92 4.05 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 70 K 8.28 3.81 0.00 2.06 1.90 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 71 Q 8.20 4.01 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 72 K 7.51 4.31 0.00 1.87 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.58 7.81 73 G 8.20 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 74 A 7.67 4.21 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 75 N 8.59 5.16 0.00 2.66 2.83 0.00 0.00 6.66 6.72 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 76 A 7.74 4.87 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 77 I 9.20 4.90 1.87 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 1.22 0.72 0.91 0.00 0.00 78 V 8.54 4.70 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 0.70 0.00 0.00 0.99 0.00 0.00 79 G 8.86 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 0.00 0.00 0.00 80 V 7.73 4.23 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 0.94 0.00 0.00 0.99 0.00 0.00 81 D 9.09 4.92 0.00 2.69 2.41 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 82 V 8.41 4.54 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 0.54 0.00 0.00 0.90 0.00 0.00 83 D 8.71 4.88 0.00 2.69 2.44 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 84 Y 8.40 5.11 0.00 2.86 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 85 E 8.60 4.69 0.00 1.83 1.77 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 2.38 2.23 0.00 86 V 8.55 3.83 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 0.74 0.00 0.00 0.90 0.00 0.00 87 V 8.23 3.99 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 0.82 0.00 0.00 0.92 0.00 0.00 88 R 7.40 4.53 0.00 1.72 1.69 0.00 3.32 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 89 D 8.59 4.24 0.00 2.66 2.65 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 90 G 8.40 3.62 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 0.00 *92 L 7.72 4.55 0.00 1.48 1.37 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *94 V 7.93 4.23 2.30 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 0.81 0.00 0.00 0.79 0.00 0.00 95 A 8.72 5.15 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 0.00 0.00 96 V 8.96 4.90 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 0.77 0.00 0.00 0.99 0.00 0.00 97 S 8.62 5.07 0.00 3.83 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 98 G 7.93 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 0.00 0.00 0.00 0.00 99 T 8.50 5.07 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 1.39 0.00 0.00 100 A 8.81 4.61 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 0.00 101 V 8.93 4.66 2.10 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 0.72 0.00 0.00 0.60 0.00 0.00 102 R 8.73 4.99 0.00 1.85 1.71 0.00 3.11 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 103 I 9.06 4.79 1.83 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 1.23 1.57 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.