NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0029 8.2833 118.1661 52.2799 38.9236 174.9759 2 L 3.9943 8.0758 118.2154 57.2173 41.2191 179.1004 3 F 4.3688 8.8582 118.9246 60.7970 39.3002 177.2397 4 Q 4.2641 8.7939 117.7660 58.9305 28.5491 178.3422 5 F 4.6581 8.7361 122.1461 61.5081 39.4685 177.3615 6 G 3.6068 8.6252 105.6882 47.8594 0.0000 175.5117 7 E 4.1952 8.5501 120.9386 59.6180 29.4588 179.3684 8 M 4.5323 8.3159 118.8795 58.3685 31.9362 178.9803 9 I 3.6102 7.8936 120.1059 64.1241 37.1976 178.0973 10 L 4.2314 7.8950 122.5019 57.6102 41.6966 178.7525 11 Q 3.7553 7.8076 118.0299 59.2257 29.0605 178.1568 12 K 4.1670 8.2890 118.0061 58.0358 32.3346 178.2392 13 T 4.5426 8.1972 107.7924 60.3882 70.3938 175.1915 14 G 3.7678 8.2481 110.4716 45.8103 0.0000 173.1652 *16 K 4.4337 7.4449 117.7691 56.1563 33.5831 174.6060 17 E 4.4205 8.4274 122.2777 55.3409 30.4888 177.6238 18 V 3.7634 8.6915 124.8223 65.3134 31.0957 178.8329 19 V 3.7075 7.8138 110.8462 63.1710 31.4711 176.8763 20 H 4.9598 7.7593 113.5994 55.1391 29.6075 174.7726 21 S 4.6808 8.4532 112.8796 58.0909 64.6306 175.5181 22 Y 3.9384 8.3053 118.3380 60.3101 38.7753 178.6657 23 A 4.1833 8.2526 122.1665 54.1948 18.8799 178.3280 24 I 4.6250 8.1302 108.9232 60.5739 38.0874 174.1166 25 Y 4.8446 8.3850 122.7910 57.3835 40.4778 176.8986 26 G 3.8856 7.9548 114.6920 46.2234 0.0000 172.5984 27 C 4.7470 9.5277 115.1469 57.0932 41.6175 174.9712 28 Y 4.2463 8.2696 115.6310 59.0982 40.0985 176.4941 29 C 4.6387 8.8627 116.2703 59.2910 41.3641 174.3349 30 G 4.3824 7.6710 112.0859 45.5252 0.0000 176.2117 31 W 4.6275 8.9640 116.9523 55.4107 28.9985 175.9689 32 G 4.0872 7.6869 114.7796 43.9430 0.0000 171.2587 33 G 4.1006 9.9564 112.4949 44.6900 0.0000 172.3934 34 Q 4.4927 7.1706 114.9823 55.8061 31.4233 175.0581 35 G 4.1041 8.6475 107.1376 44.7966 0.0000 172.3794 36 R 4.6303 8.4329 118.4995 54.7693 30.9307 176.8312 37 A 4.4361 9.0974 128.2181 52.7374 18.6591 178.1184 38 Q 3.8731 8.9271 122.4884 58.1417 29.2216 175.1739 39 D 4.3315 7.1967 114.8756 51.5685 41.9160 175.9565 40 A 3.9798 8.4353 119.8913 55.7926 18.2905 179.7899 41 T 3.7981 7.9925 113.6620 66.8870 68.7502 176.0864 42 D 4.4907 8.9215 120.2612 57.5304 41.2030 178.2804 43 R 3.9743 8.2838 119.4051 59.5401 30.0490 177.6962 44 C 4.2598 8.4928 116.6388 60.3368 39.7093 175.5753 45 C 4.3107 8.0864 117.5338 59.8915 40.4091 175.8819 46 F 4.1338 8.1763 122.0097 61.2215 38.8426 177.1484 47 V 3.2850 8.0750 118.2733 66.3856 31.1891 177.5464 48 H 3.9693 8.1242 117.7161 58.9545 29.5333 176.9593 49 D 4.1973 8.0800 121.2272 57.5428 40.4418 178.1763 50 C 4.0779 7.3990 115.5626 59.8127 39.9561 174.8496 51 C 4.2048 8.2091 120.4812 60.2112 43.2185 175.1507 52 Y 4.2067 8.2369 118.5648 61.3459 37.1984 179.0308 53 G 3.7399 8.0560 106.0085 47.9377 0.0000 174.8572 54 T 4.3689 7.8750 109.2381 61.2890 69.1609 174.5337 55 V 4.0520 7.4773 123.0232 61.9165 31.8317 174.5694 56 N 4.5137 8.5388 125.1088 54.9379 39.6924 176.6990 *58 D 4.8343 8.1425 114.1909 53.7672 42.8283 173.4680 59 C 4.5806 7.3523 113.0522 53.8811 44.5345 172.5327 *61 N 4.9082 8.3751 116.9281 53.2664 38.6350 172.8088 *68 P 4.0294 0.0000 0.0000 62.1550 33.3579 178.2099 69 K 4.1432 7.9972 119.2541 58.5752 32.2542 177.6778 70 T 4.4295 7.5468 104.9789 60.7685 70.1744 173.7968 71 A 3.9262 8.1638 126.9597 52.6657 18.5127 176.9871 72 T 4.2607 8.4320 121.0147 62.4939 69.0160 173.9568 73 Y 4.8715 7.1858 126.7151 55.4379 40.7198 174.1517 74 S 5.0667 9.5108 115.7777 57.4014 65.7488 173.3272 75 Y 5.5013 8.5103 121.5756 56.3193 41.2448 173.3280 76 S 3.9276 8.7375 113.4955 57.1803 67.0952 172.6285 77 F 5.4780 8.2823 118.7018 56.2803 40.6604 176.0667 78 E 4.4915 9.4179 122.6174 55.9078 32.4391 175.2046 79 N 4.2920 10.1492 122.3708 54.1166 36.2637 175.5009 80 G 3.9780 8.6691 107.4346 45.3389 0.0000 174.1530 81 D 4.7278 8.0307 119.0803 53.5229 42.3185 174.3999 82 I 5.0785 8.2024 122.9534 59.5522 39.4635 175.2458 83 V 4.3040 9.1903 127.6469 61.2773 33.5145 173.8080 84 C 4.9024 8.9336 126.5866 56.6156 40.4315 173.8691 85 G 3.8424 8.9845 111.2217 46.2529 0.0000 173.5363 86 D 4.6110 7.8814 120.7526 54.1553 41.5350 176.1648 *88 N 4.6502 8.1115 116.4857 53.2030 40.7834 174.5997 89 D 4.3051 7.7142 119.9901 54.0149 41.9975 177.1929 90 L 3.9371 8.7986 129.2129 59.4324 40.0013 179.8004 91 C 4.2390 9.4224 120.0027 59.2666 41.5761 175.3563 92 L 3.9556 8.2607 120.1637 57.9858 41.2794 179.3823 93 R 3.9028 8.0135 118.4225 59.3623 29.9508 178.6980 94 T 3.8820 7.6583 115.7058 66.1401 68.4593 177.0118 95 V 3.4441 7.7880 120.2341 66.0722 31.6240 176.9287 96 C 2.7189 7.5312 118.1199 59.6004 43.9604 175.5987 97 E 3.8213 7.9655 119.6839 59.3455 28.9464 178.5048 98 C 4.0945 8.1447 116.6723 60.2963 40.4370 176.1231 99 D 3.3700 7.8783 120.0812 56.8757 40.2719 178.5388 100 R 3.8257 8.2261 119.3174 59.5886 30.0134 178.2099 101 A 3.9415 8.0161 120.0393 55.3186 18.2964 179.5148 102 A 3.8984 8.0124 118.9273 55.1507 18.4037 179.7703 103 A 3.9239 8.4937 119.6875 55.2304 18.4034 180.0109 104 I 3.6894 8.0853 118.9885 64.4934 36.9519 177.7809 105 C 4.2368 8.1954 118.6380 59.5792 40.4190 175.1535 106 L 4.0858 8.5520 121.1051 57.9002 40.9539 179.8067 107 G 3.6425 8.1884 105.5118 47.9318 0.0000 175.5461 108 Q 4.3086 7.9445 118.7484 57.5074 29.0598 176.7274 109 N 5.0780 7.7970 116.0432 52.8120 39.9270 176.6979 110 V 3.8974 7.6709 113.6158 64.0683 31.7752 178.2747 111 N 4.3628 8.3260 116.6465 55.2292 37.1613 175.6233 112 T 4.5674 7.6260 107.2694 61.1497 68.7447 173.7836 113 Y 4.1679 8.2466 124.3016 58.5856 39.3590 174.7735 114 D 4.9582 9.1349 125.9586 52.1320 43.0856 176.0788 115 K 4.2062 8.9493 127.4158 59.6023 32.1968 178.5039 116 N 4.3565 8.4419 114.7930 54.9701 38.5752 175.1675 117 Y 4.1350 7.5460 116.1135 57.5710 37.2030 175.0217 118 E 4.1659 8.0983 122.4567 57.3710 30.2529 176.7266 119 Y 3.9616 8.9035 120.3334 59.2231 36.1383 171.5024 120 Y 4.1647 7.5714 124.4079 60.4295 38.9730 177.4995 121 S 4.4868 8.1236 111.9576 59.1378 64.0307 174.8649 122 I 3.6650 7.8369 122.6984 64.2602 37.8011 177.3950 *124 S 4.7678 7.7464 112.2414 58.2025 64.5813 172.7816 125 H 4.7515 7.1010 117.6069 55.6980 31.2987 172.4482 126 C 4.1371 8.8935 115.9862 59.7155 36.9592 173.5438 127 T 4.1977 8.0570 111.9174 61.7159 68.0474 173.5964 128 E 4.4332 7.6134 119.0108 55.0801 31.9842 174.4298 129 E 4.0477 8.6632 118.4286 57.4137 29.7041 177.2066 130 S 5.3793 8.2438 120.7008 56.8268 64.2904 173.7491 131 E 3.9485 8.0720 121.6148 56.2163 29.5385 176.8438 132 Q 4.8059 7.9733 119.3986 54.0511 32.1977 176.4968 133 C 4.5325 9.0179 117.5373 57.4555 41.2274 173.6796 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 5.00 0.00 3.09 3.00 0.00 0.00 6.14 5.79 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 2 L 8.08 3.99 0.00 1.59 1.75 0.97 1.30 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 3 F 8.86 4.37 0.00 3.31 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 4 Q 8.79 4.26 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 5 F 8.74 4.66 0.00 3.40 3.12 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 6 G 8.63 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.55 4.20 0.00 2.44 2.38 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 2.51 2.60 0.00 8 M 8.32 4.53 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 9 I 7.89 3.61 1.82 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.66 0.00 0.00 10 L 7.89 4.23 0.00 1.80 1.85 0.92 0.34 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 11 Q 7.81 3.76 0.00 1.82 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.83 0.00 12 K 8.29 4.17 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.63 7.81 13 T 8.20 4.54 4.32 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 1.12 0.00 0.00 14 G 8.25 3.77 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 0.00 0.00 0.00 *16 K 7.44 4.43 0.00 1.96 1.60 0.00 1.52 0.00 0.00 0.86 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.46 7.81 17 E 8.43 4.42 0.00 2.08 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 0.00 2.40 2.31 0.00 18 V 8.69 3.76 2.03 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 0.83 0.00 0.00 0.88 0.00 0.00 19 V 7.81 3.71 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 0.81 0.00 0.00 0.62 0.00 0.00 20 H 7.76 4.96 0.00 3.15 3.33 0.00 5.60 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.45 4.68 0.00 3.53 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 22 Y 8.31 3.94 0.00 3.00 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 23 A 8.25 4.18 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 24 I 8.13 4.62 1.17 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.85 0.00 0.00 25 Y 8.39 4.84 0.00 3.09 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 26 G 7.95 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 27 C 9.53 4.75 0.00 3.02 2.98 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 28 Y 8.27 4.25 0.00 3.40 3.21 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 29 C 8.86 4.64 0.00 3.46 3.45 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 30 G 7.67 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 31 W 8.96 4.63 0.00 3.28 3.39 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 32 G 7.69 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 0.00 0.00 0.00 33 G 9.96 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 0.00 0.00 0.00 34 Q 7.17 4.49 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 35 G 8.65 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 0.00 0.00 0.00 36 R 8.43 4.63 0.00 1.81 1.86 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 37 A 9.10 4.44 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 38 Q 8.93 3.87 0.00 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.07 1.22 0.00 39 D 7.20 4.33 0.00 2.78 2.62 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 40 A 8.44 3.98 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 41 T 7.99 3.80 4.47 0.00 0.00 0.00 0.00 0.00 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 42 D 8.92 4.49 0.00 2.92 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 43 R 8.28 3.97 0.00 2.09 1.93 0.00 3.16 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 44 C 8.49 4.26 0.00 3.13 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 45 C 8.09 4.31 0.00 3.33 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 46 F 8.18 4.13 0.00 2.52 2.98 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 47 V 8.08 3.28 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 0.91 0.00 0.00 0.93 0.00 0.00 48 H 8.12 3.97 0.00 3.09 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.08 4.20 0.00 2.63 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 7.40 4.08 0.00 2.77 2.92 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 0.00 0.00 0.00 0.00 51 C 8.21 4.20 0.00 2.93 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 52 Y 8.24 4.21 0.00 3.02 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 8.06 3.74 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 0.00 0.00 0.00 54 T 7.88 4.37 4.20 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 1.20 0.00 0.00 55 V 7.48 4.05 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 0.72 0.00 0.00 0.88 0.00 0.00 56 N 8.54 4.51 0.00 2.75 2.80 0.00 0.00 7.05 8.08 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 *58 D 8.14 4.83 0.00 2.66 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 59 C 7.35 4.58 0.00 3.01 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 *61 N 8.38 4.91 0.00 2.72 2.75 0.00 0.00 7.66 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 *68 P 0.00 4.03 0.00 0.49 0.73 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.64 0.00 69 K 8.00 4.14 0.00 1.75 1.77 0.00 1.65 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.39 7.81 70 T 7.55 4.43 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 71 A 8.16 3.93 1.28 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 72 T 8.43 4.26 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 73 Y 7.19 4.87 0.00 3.23 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 74 S 9.51 5.07 0.00 4.07 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 75 Y 8.51 5.50 0.00 3.03 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 76 S 8.74 3.93 0.00 3.72 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 77 F 8.28 5.48 0.00 3.00 2.92 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 0.00 0.00 0.00 0.00 78 E 9.42 4.49 0.00 1.93 1.84 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 2.28 2.45 0.00 79 N 10.15 4.29 0.00 2.88 2.90 0.00 0.00 7.39 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 80 G 8.67 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 81 D 8.03 4.73 0.00 2.76 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 82 I 8.20 5.08 1.97 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 1.72 0.99 1.00 0.00 0.00 83 V 9.19 4.30 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 0.98 0.00 0.00 0.97 0.00 0.00 84 C 8.93 4.90 0.00 3.02 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 85 G 8.98 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 86 D 7.88 4.61 0.00 2.74 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 *88 N 8.11 4.65 0.00 2.74 2.86 0.00 0.00 7.19 8.06 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 89 D 7.71 4.31 0.00 2.71 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 90 L 8.80 3.94 0.00 1.88 1.93 0.90 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 91 C 9.42 4.24 0.00 2.92 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 92 L 8.26 3.96 0.00 1.91 1.95 1.03 0.96 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 93 R 8.01 3.90 0.00 1.92 2.02 0.00 3.06 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 94 T 7.66 3.88 4.41 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 1.15 0.00 0.00 95 V 7.79 3.44 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 0.85 0.00 0.00 96 C 7.53 2.72 0.00 1.84 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 97 E 7.97 3.82 0.00 2.06 1.89 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 2.41 2.42 0.00 98 C 8.14 4.09 0.00 3.18 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 99 D 7.88 3.37 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 3.83 0.00 1.76 2.05 0.00 3.18 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 101 A 8.02 3.94 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 0.00 102 A 8.01 3.90 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 0.00 103 A 8.49 3.92 1.55 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 0.00 0.00 104 I 8.09 3.69 2.05 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 1.43 0.64 0.91 0.00 0.00 105 C 8.20 4.24 0.00 3.00 3.28 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 0.00 106 L 8.55 4.09 0.00 1.55 1.13 0.37 0.75 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 0.00 107 G 8.19 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.94 4.31 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 109 N 7.80 5.08 0.00 2.76 2.81 0.00 0.00 6.84 7.73 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 0.00 110 V 7.67 3.90 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 0.92 0.00 0.00 1.01 0.00 0.00 111 N 8.33 4.36 0.00 2.86 2.99 0.00 0.00 5.91 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 0.00 112 T 7.63 4.57 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 1.27 0.00 0.00 113 Y 8.25 4.17 0.00 3.02 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 0.00 114 D 9.13 4.96 0.00 2.68 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 0.00 115 K 8.95 4.21 0.00 1.89 1.92 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.94 1.76 7.81 116 N 8.44 4.36 0.00 2.51 2.55 0.00 0.00 6.96 7.25 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 0.00 117 Y 7.55 4.14 0.00 1.43 1.81 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 0.00 118 E 8.10 4.17 0.00 2.06 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 2.35 2.30 0.00 119 Y 8.90 3.96 0.00 3.18 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 0.00 120 Y 7.57 4.16 0.00 3.25 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 0.00 121 S 8.12 4.49 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 0.00 122 I 7.84 3.66 1.86 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 1.26 1.31 0.99 0.00 0.00 *124 S 7.75 4.77 0.00 3.61 3.69 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 0.00 125 H 7.10 4.75 0.00 2.29 2.88 0.00 5.97 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.89 4.14 0.00 3.11 3.41 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 0.00 127 T 8.06 4.20 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 1.19 0.00 0.00 128 E 7.61 4.43 0.00 2.16 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 0.00 2.34 2.26 0.00 129 E 8.66 4.05 0.00 1.94 1.93 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 2.30 2.37 0.00 130 S 8.24 5.38 0.00 3.94 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 0.00 131 E 8.07 3.95 0.00 1.16 1.12 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 2.03 1.47 0.00 132 Q 7.97 4.81 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 133 C 9.02 4.53 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.