NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8790 8.2833 119.1757 53.0490 40.2968 175.3228 2 L 4.1517 8.4841 125.0554 57.3131 41.4997 178.5190 3 L 4.0955 9.4437 121.0461 57.4655 41.9032 179.1762 4 Q 3.9979 8.0071 117.8682 58.9873 28.6731 178.1907 5 F 4.4626 8.3672 121.1614 61.7081 39.1839 176.7227 6 N 4.0520 8.1549 114.9664 55.8012 38.3890 177.1415 7 K 4.1111 7.9559 121.1957 59.7738 32.3433 178.6614 8 M 4.0747 8.3897 119.3514 58.6525 31.9335 178.5922 9 I 3.5471 7.8482 120.1174 64.5146 37.1413 178.3696 10 K 4.8538 7.6983 121.5380 58.8019 31.8415 178.1604 *12 E 4.2541 7.9808 117.7857 55.6799 31.3855 175.8907 13 E 4.3715 8.3854 117.3694 57.5797 30.3368 176.9874 14 T 4.2160 7.9493 106.8261 60.7413 69.9690 175.7034 15 G 3.8023 8.2627 109.6066 45.7495 0.0000 172.8814 16 K 4.3428 7.8059 119.1246 54.2247 34.9185 174.4097 17 N 5.2515 8.4328 116.2954 51.3759 40.9666 174.6507 18 A 4.1709 8.6228 126.4991 55.1121 18.5711 176.8931 19 I 4.6595 7.4943 115.0095 59.0888 38.8873 174.2335 20 P 4.4109 0.0000 0.0000 66.0772 31.9453 179.5439 21 F 4.4103 6.1796 115.6373 61.5026 39.1465 175.9529 22 Y 4.6432 8.5875 115.3493 56.9432 40.5675 176.0229 23 A 3.8180 7.8091 123.6816 54.6036 18.5365 177.7276 24 F 5.1806 7.3772 114.3566 56.4028 42.1873 172.9622 25 Y 5.1145 8.7002 125.5430 56.9996 42.7169 175.4002 26 G 3.4802 6.9932 114.4913 47.3963 0.0000 173.6975 27 C 4.9345 10.9401 121.5624 56.5728 35.5471 174.5300 28 Y 4.6550 8.3285 116.4524 56.9891 40.0044 175.4288 29 C 4.6612 8.0010 115.9750 57.9266 40.8458 175.1021 30 G 4.1848 7.5198 111.5941 45.4062 0.0000 172.8974 31 G 4.0657 8.7774 108.8016 45.5942 0.0000 176.5563 32 G 3.7311 9.4760 118.7928 44.5308 0.0000 174.0658 33 G 3.7272 8.9323 111.1801 44.8204 0.0000 171.4161 34 N 4.6241 7.1464 114.5865 53.5850 43.0616 175.0204 35 G 4.0585 8.2914 104.1745 44.4119 0.0000 173.6816 36 K 4.6664 8.1657 124.4238 53.3409 34.7098 173.7980 37 P 4.3530 0.0000 0.0000 62.9536 31.7699 176.2459 38 K 3.7626 8.8906 123.5347 58.7928 32.5706 175.6701 39 D 4.3795 7.6106 115.6232 51.6987 41.7302 175.7603 40 G 4.0206 9.0316 106.6076 48.1842 0.0000 175.1126 41 T 4.2057 7.9818 117.9323 66.2753 68.4807 175.9995 42 D 4.5372 8.6178 119.7136 57.4442 41.1368 178.2096 43 R 3.9275 8.7468 119.6853 59.4714 29.9032 177.9138 44 C 4.0958 8.0746 116.2595 60.1830 38.4208 175.3923 45 C 4.3739 8.3769 117.5490 59.9737 37.3171 175.4438 46 F 3.9303 8.4447 122.4056 61.4880 38.8223 177.2480 47 V 2.9963 7.7857 117.5156 66.0775 31.2782 177.4382 48 H 3.7453 8.1999 118.0187 59.2304 29.6605 176.8667 49 D 4.2054 8.5452 121.2311 57.6300 40.4437 178.2155 50 C 4.0828 7.7824 116.1524 59.8942 34.9816 174.9860 51 C 4.1952 8.2286 120.3060 59.9281 41.4550 174.9920 52 Y 4.4486 7.8080 118.1851 61.3169 37.3123 178.9232 53 G 3.9138 7.7576 104.9925 48.3676 0.0000 175.5374 54 R 4.0588 7.7146 118.5148 57.5044 31.3636 177.6099 55 L 4.5707 8.0341 120.8768 52.9942 40.3619 176.6411 56 V 3.6031 7.4744 114.8520 64.5538 32.4627 178.2116 *59 N 4.6961 7.8909 114.8603 53.1617 40.0001 174.0905 *61 C 5.2302 7.8385 114.3107 57.2643 39.3024 172.8622 *67 N 4.8905 8.4825 120.8128 53.0241 38.6331 174.1159 68 T 3.5274 7.8874 112.0676 63.6263 69.0700 176.2000 69 K 4.2384 7.9355 119.9835 58.0692 33.6745 178.3692 70 S 4.2355 9.3705 115.8117 60.1746 63.7254 174.0712 71 D 4.2554 7.5313 117.3954 54.9015 41.1871 176.1603 72 I 4.2560 8.1494 127.0335 60.1953 38.5184 174.3379 73 Y 4.9577 8.6026 122.2610 55.0249 41.2917 174.4861 74 S 5.0303 8.6732 115.0679 57.4197 64.8701 172.6986 75 Y 5.3839 8.4292 120.7059 56.4115 40.8165 173.7308 76 S 4.5498 8.8759 115.8353 57.7231 67.3823 173.2496 77 L 5.0836 8.0655 115.9664 55.2736 42.6180 174.1838 78 K 4.2835 8.1469 123.4902 56.3863 34.2086 176.3369 79 E 3.8055 9.7140 124.2949 57.6216 26.8214 176.2225 80 G 3.8728 8.0933 104.9079 46.0188 0.0000 172.2405 81 Y 4.5222 8.5892 122.4681 55.7111 39.9609 175.2344 82 I 4.2947 7.9837 128.4700 61.5634 37.8439 175.5244 83 T 4.6629 8.4778 123.4894 62.2531 70.8984 173.2444 84 C 5.1540 8.6624 122.7024 55.2808 41.9765 174.9624 85 G 3.9367 8.9898 114.2511 45.8147 0.0000 172.7546 86 K 4.5160 8.6417 119.3524 55.9753 35.1011 176.7707 *88 G 4.3444 8.1622 106.6628 45.9291 0.0000 174.1593 89 T 4.6636 8.2304 113.6980 59.0707 72.4466 174.3797 90 N 4.3967 8.6537 120.7437 57.4441 38.8111 177.6086 91 C 4.2532 8.1470 116.8651 60.1845 38.3155 175.9283 92 E 4.0120 7.6661 119.7092 59.3561 28.9635 179.3052 93 E 3.8483 9.0464 119.6939 59.7535 29.6019 178.8233 94 Q 3.8985 8.5610 118.2039 59.5447 28.7918 179.3075 95 I 3.6957 8.1118 120.3296 64.8111 37.2625 177.6058 96 C 3.0179 7.7586 118.8292 59.4640 41.6461 175.6466 97 E 3.6273 8.2528 120.0751 59.1327 28.4982 178.8384 98 C 4.0053 7.9169 117.0070 59.7318 38.1305 175.5803 99 D 3.4379 7.9237 120.6980 57.1217 40.4339 179.1033 100 R 3.8367 7.7593 116.5014 59.3377 29.3002 178.9527 101 V 3.5334 7.1888 118.3445 65.3393 31.3782 177.9704 102 A 3.4145 7.4576 119.9496 54.7910 18.2823 179.0434 103 A 4.0836 8.3672 119.6682 55.7584 18.4298 179.5873 104 E 3.8368 8.5187 117.8183 59.3918 29.4696 177.9755 105 C 4.1047 7.8699 118.0824 59.6833 44.5882 175.3554 106 F 4.4813 8.0591 119.6528 60.6712 38.2672 177.6080 107 R 3.9747 7.6068 116.7249 59.3587 29.9416 178.1229 108 R 4.2190 7.9198 115.6534 57.3542 30.3002 177.1454 109 N 4.9380 8.0238 115.3327 52.8622 39.8037 176.3267 110 L 4.0294 8.0453 121.3846 58.0126 41.5977 178.4566 111 D 4.7584 8.1250 116.6363 55.2857 39.3052 176.7866 112 T 4.7355 8.2559 109.0411 61.4109 70.1775 173.2617 113 Y 4.1316 8.1391 123.4391 58.3474 39.3645 174.6036 114 N 5.2380 9.8315 126.2804 51.6536 40.5890 174.4810 115 N 4.5363 9.2941 124.4040 56.5765 38.8375 177.6038 116 G 3.7353 8.0602 105.2483 48.4992 0.0000 173.4760 117 Y 4.5446 7.5748 116.0569 58.4884 38.2894 175.1026 118 M 4.1228 8.0888 121.2842 56.3192 32.7108 175.5681 119 F 3.8260 8.0438 123.5448 58.5434 37.2911 175.1629 120 Y 4.1887 8.1381 121.4230 56.8618 38.5801 175.0067 121 R 3.8459 8.2982 126.2294 57.1976 30.6166 177.2209 122 D 4.5965 8.6015 120.6466 56.0382 41.2749 178.1742 *124 S 4.5790 7.8435 113.1957 58.2841 64.7287 175.8930 125 K 3.8158 7.4280 117.3610 58.4351 32.3899 176.7502 126 C 4.7377 7.3633 118.7384 56.3368 39.1574 176.0677 127 T 4.2804 7.2930 112.3477 60.1730 67.4137 173.5233 128 E 4.7896 7.4359 126.6814 55.4793 35.4780 174.9662 129 T 4.2146 8.4741 117.6524 63.3613 68.8405 175.0702 130 S 4.3849 8.8993 122.2221 59.1440 63.3067 174.6735 131 E 3.9965 9.4003 126.1464 55.8672 30.0392 175.7806 132 E 4.4901 8.4202 125.4597 55.4449 30.9225 176.8596 133 C 4.4324 8.7283 120.6219 57.3582 41.3427 173.6443 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 4.88 0.00 2.76 2.64 0.00 0.00 7.08 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 8.48 4.15 0.00 1.80 1.82 1.04 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.44 4.10 0.00 1.77 1.73 0.93 0.97 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 4 Q 8.01 4.00 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.16 0.00 5 F 8.37 4.46 0.00 3.49 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.05 0.00 2.95 2.82 0.00 0.00 7.02 7.20 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 7 K 7.96 4.11 0.00 2.12 1.95 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.55 7.81 8 M 8.39 4.07 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.39 0.00 9 I 7.85 3.55 1.76 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.33 0.41 0.00 0.00 10 K 7.70 4.85 0.00 1.82 2.02 0.00 1.58 0.00 0.00 1.83 0.00 0.00 3.24 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.35 7.81 *12 E 7.98 4.25 0.00 2.23 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 2.25 2.37 0.00 13 E 8.39 4.37 0.00 1.99 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 0.00 2.49 2.37 0.00 14 T 7.95 4.22 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 15 G 8.26 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.81 4.34 0.00 1.66 1.56 0.00 0.74 0.00 0.00 1.21 0.00 0.00 2.64 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 N 8.43 5.25 0.00 2.96 2.78 0.00 0.00 6.77 7.35 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 18 A 8.62 4.17 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 7.49 4.66 1.86 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 1.32 0.55 0.94 0.00 0.00 20 P 0.00 4.41 0.00 2.19 2.56 0.00 3.34 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.85 0.00 21 F 6.18 4.41 0.00 3.11 2.25 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 22 Y 8.59 4.64 0.00 2.68 2.55 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 23 A 7.81 3.82 0.30 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 24 F 7.38 5.18 0.00 3.12 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 25 Y 8.70 5.11 0.00 2.89 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 26 G 6.99 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 10.94 4.93 0.00 2.55 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 28 Y 8.33 4.65 0.00 3.38 3.32 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 29 C 8.00 4.66 0.00 3.45 3.42 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 30 G 7.52 4.18 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 0.00 31 G 8.78 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 0.00 0.00 0.00 32 G 9.48 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 33 G 8.93 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 34 N 7.15 4.62 0.00 2.62 2.68 0.00 0.00 7.56 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 35 G 8.29 4.06 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 0.00 0.00 0.00 36 K 8.17 4.67 0.00 1.62 1.63 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.31 7.81 37 P 0.00 4.35 0.00 1.95 1.95 0.00 3.59 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 38 K 8.89 3.76 0.00 1.34 0.83 0.00 1.21 0.00 0.00 0.68 0.00 0.00 3.06 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.43 7.81 39 D 7.61 4.38 0.00 2.89 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 40 G 9.03 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.98 4.21 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 0.99 0.00 0.00 42 D 8.62 4.54 0.00 2.98 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 43 R 8.75 3.93 0.00 2.05 2.08 0.00 3.14 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 44 C 8.07 4.10 0.00 2.88 2.35 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 45 C 8.38 4.37 0.00 3.40 3.52 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 46 F 8.44 3.93 0.00 2.49 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 47 V 7.79 3.00 1.99 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 0.72 0.00 0.00 0.92 0.00 0.00 48 H 8.20 3.75 0.00 3.05 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.55 4.21 0.00 2.84 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 50 C 7.78 4.08 0.00 2.58 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 51 C 8.23 4.20 0.00 2.81 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 52 Y 7.81 4.45 0.00 3.06 2.91 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 53 G 7.76 3.91 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 0.00 54 R 7.71 4.06 0.00 1.99 1.99 0.00 3.07 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 55 L 8.03 4.57 0.00 1.58 1.58 0.91 0.51 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 56 V 7.47 3.60 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 0.85 0.00 0.00 0.92 0.00 0.00 *59 N 7.89 4.70 0.00 2.79 2.85 0.00 0.00 7.59 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 *61 C 7.84 5.23 0.00 2.92 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 *67 N 8.48 4.89 0.00 2.71 2.72 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 7.89 3.53 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 0.80 0.00 0.00 69 K 7.94 4.24 0.00 2.02 2.16 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.49 7.81 70 S 9.37 4.24 0.00 3.88 3.92 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 71 D 7.53 4.26 0.00 2.70 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 72 I 8.15 4.26 1.82 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 1.57 0.66 0.90 0.00 0.00 73 Y 8.60 4.96 0.00 2.97 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 8.67 5.03 0.00 4.00 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 75 Y 8.43 5.38 0.00 3.16 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 8.88 4.55 0.00 3.77 3.81 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 77 L 8.07 5.08 0.00 1.67 1.59 1.24 0.61 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 8.15 4.28 0.00 1.86 1.70 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.48 1.47 7.81 79 E 9.71 3.81 0.00 2.08 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 0.00 2.26 2.37 0.00 80 G 8.09 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 81 Y 8.59 4.52 0.00 2.95 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 82 I 7.98 4.29 1.68 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 1.40 0.66 0.91 0.00 0.00 83 T 8.48 4.66 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 1.29 0.00 0.00 84 C 8.66 5.15 0.00 2.79 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 8.99 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 86 K 8.64 4.52 0.00 2.00 1.97 0.00 1.44 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 *88 G 8.16 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 0.00 0.00 0.00 0.00 89 T 8.23 4.66 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 90 N 8.65 4.40 0.00 2.76 2.89 0.00 0.00 6.97 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 8.15 4.25 0.00 3.00 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 92 E 7.67 4.01 0.00 2.27 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 0.00 2.54 2.66 0.00 93 E 9.05 3.85 0.00 2.01 2.15 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 2.32 2.36 0.00 94 Q 8.56 3.90 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 95 I 8.11 3.70 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.98 0.00 0.00 96 C 7.76 3.02 0.00 2.27 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 97 E 8.25 3.63 0.00 2.04 1.88 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 2.23 2.46 0.00 98 C 7.92 4.01 0.00 3.17 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 99 D 7.92 3.44 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.84 0.00 1.86 2.01 0.00 2.61 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 101 V 7.19 3.53 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 0.90 0.00 0.00 0.83 0.00 0.00 102 A 7.46 3.41 1.07 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 0.00 0.00 103 A 8.37 4.08 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 0.00 104 E 8.52 3.84 0.00 1.94 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 0.00 2.23 2.29 0.00 105 C 7.87 4.10 0.00 2.81 2.70 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 0.00 106 F 8.06 4.48 0.00 3.03 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 0.00 107 R 7.61 3.97 0.00 1.80 2.15 0.00 3.26 0.00 0.00 3.46 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 108 R 7.92 4.22 0.00 2.05 1.96 0.00 3.45 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 109 N 8.02 4.94 0.00 2.94 2.91 0.00 0.00 6.83 6.06 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 0.00 110 L 8.05 4.03 0.00 1.69 1.78 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.12 4.76 0.00 2.85 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 0.00 112 T 8.26 4.74 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 8.14 4.13 0.00 3.04 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 N 9.83 5.24 0.00 2.75 2.77 0.00 0.00 7.00 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 9.29 4.54 0.00 2.87 2.98 0.00 0.00 6.94 7.95 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 0.00 116 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 0.00 117 Y 7.57 4.54 0.00 2.18 1.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.12 0.00 1.68 1.96 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.01 0.00 119 F 8.04 3.83 0.00 3.24 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 0.00 120 Y 8.14 4.19 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 0.00 121 R 8.30 3.85 0.00 1.61 1.69 0.00 3.07 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 122 D 8.60 4.60 0.00 2.80 2.70 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 *124 S 7.84 4.58 0.00 3.98 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 0.00 125 K 7.43 3.82 0.00 1.56 1.84 0.00 1.31 0.00 0.00 0.62 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.16 7.81 126 C 7.36 4.74 0.00 3.14 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 0.00 127 T 7.29 4.28 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 1.25 0.00 0.00 128 E 7.44 4.79 0.00 1.84 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 2.30 2.27 0.00 129 T 8.47 4.21 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 0.00 130 S 8.90 4.38 0.00 3.81 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 0.00 131 E 9.40 4.00 0.00 1.55 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 1.47 2.10 0.00 132 E 8.42 4.49 0.00 1.99 1.87 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 2.29 2.43 0.00 133 C 8.73 4.43 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.