NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8230 8.3544 109.7426 46.6730 0.0000 171.5068 -1 S 3.9665 8.8191 116.8363 58.7400 61.6454 172.0553 0 H 3.8032 9.1778 119.8567 57.7261 31.1079 174.1021 1 M 3.2770 7.6282 118.1907 56.6781 30.2506 178.3003 2 E 3.9489 8.1921 120.0937 59.6939 30.2122 179.0439 3 F 4.0592 8.2554 119.7371 61.4492 39.5602 176.7901 4 Q 3.9304 8.1668 118.8899 59.1685 28.7809 178.1597 5 R 3.8692 7.7466 115.9611 59.0069 29.4177 178.8779 6 V 3.5968 7.6367 118.4138 65.6959 31.9437 176.9461 7 H 4.7453 7.5433 113.1316 55.7841 29.2869 176.5998 8 Q 3.8342 8.0835 122.8035 59.0149 28.6367 177.6946 9 Q 3.9229 7.9543 119.1036 59.0958 29.5141 177.7478 10 L 4.1359 7.8113 120.5645 58.3548 42.2799 178.8089 11 L 3.7132 7.6575 118.8395 57.6863 41.3013 179.1537 12 Q 4.3473 8.1681 116.3614 57.4649 28.7394 177.6503 13 S 4.4700 7.7697 114.2073 58.3872 64.1987 173.1428 14 H 5.0384 8.2453 124.2144 54.2984 31.5650 174.7722 15 H 4.2708 8.6206 121.5160 58.2626 28.4043 176.4921 16 L 4.0068 7.5623 118.8417 56.1959 41.9419 177.3626 17 F 4.9033 7.6636 115.8041 57.9147 41.4269 176.8221 18 E 4.0007 8.3800 120.9886 58.9239 29.3218 176.4386 19 P 4.4304 0.0000 0.0000 64.2892 31.7757 176.6726 20 L 4.4259 7.6154 119.6517 54.1884 42.0658 177.7981 21 S 4.3690 8.7861 118.7570 57.3345 64.9928 173.6109 22 P 4.2085 0.0000 0.0000 66.1152 30.9894 179.0560 23 V 3.6105 7.7204 116.0183 66.0942 31.5081 177.8435 24 Q 4.2999 7.9464 118.9374 58.3732 28.4629 178.6145 25 L 3.9806 8.2034 121.5443 57.9645 42.1969 178.5773 26 Q 3.9602 8.1553 119.5597 59.3984 28.7977 178.0751 27 E 3.9484 8.3245 119.1291 59.0915 29.8085 178.1726 28 L 4.1928 8.1288 120.3490 58.4137 42.2518 179.1120 29 L 4.1529 8.3545 118.3853 57.2988 41.3066 179.2273 30 A 4.2093 7.8168 119.7885 54.2529 16.8794 178.0205 31 S 4.7271 7.7318 112.7666 58.4928 64.1636 174.1857 32 S 5.0314 8.2834 116.2998 56.8983 66.4797 172.5708 33 D 4.4158 8.3846 119.6272 52.6581 45.0586 173.4114 34 L 5.1219 8.5603 125.2586 53.3547 44.1693 175.5094 35 V 4.4672 8.7905 125.7915 61.1507 34.7116 173.5572 36 N 5.3298 8.8591 124.8732 51.6298 40.3639 174.0068 37 L 4.8000 8.8169 124.2078 52.7223 44.8740 176.2233 38 D 4.7391 8.5921 122.4552 53.4278 42.5289 175.5613 39 K 3.6559 8.5333 121.1752 58.6746 32.1320 176.8360 40 G 3.8363 8.8648 114.2036 44.6323 0.0000 173.0084 41 A 4.0574 7.6265 122.8580 51.2909 19.6631 176.2501 42 Y 5.0407 7.9058 117.2674 56.3248 39.3308 176.4153 43 V 3.6124 8.0905 125.5033 65.1921 31.9524 175.7822 44 F 4.7517 6.7384 111.4209 56.1192 39.9707 172.6006 45 R 4.5991 8.1068 119.9114 53.6635 32.8436 175.1804 46 Q 4.2491 8.1945 121.5700 57.7016 29.0532 177.5775 47 G 4.0176 9.1734 114.8592 44.8936 0.0000 172.9193 48 E 4.4861 8.5191 121.9315 54.7603 31.0544 174.1211 49 P 4.4830 0.0000 0.0000 62.7941 32.0233 176.0096 50 A 2.9159 8.1497 125.2454 50.4040 18.6230 175.9099 51 H 4.8999 8.5295 115.7211 55.8828 31.5403 173.2190 52 A 5.3927 8.1359 119.3939 50.0720 22.5514 174.9530 53 F 5.1340 8.6229 114.0155 55.2595 42.0004 173.2566 54 Y 5.1547 8.8621 115.1029 56.3615 42.7927 174.0105 55 Y 5.2205 8.9568 122.2787 55.8449 42.1202 174.2459 56 L 4.1998 8.9530 130.2251 54.9088 42.4049 176.8252 57 I 4.2775 8.8106 129.3513 63.0066 36.9252 176.2309 58 S 4.6813 7.9753 115.5914 57.6829 66.5472 172.2592 59 G 3.9105 10.5190 106.2925 44.2570 0.0000 172.7404 60 C 4.5458 8.5226 120.4556 58.4431 35.5826 174.1172 61 V 4.7905 8.3969 126.0823 60.7299 34.4164 173.7743 62 K 4.9289 8.7222 126.8771 55.1848 35.1763 175.0176 63 I 5.1933 9.2756 124.8692 58.5828 40.4876 174.0821 64 Y 5.1361 7.7680 122.8666 56.1926 41.1661 173.9573 65 R 4.8663 8.9086 122.2567 55.5557 32.8955 175.9953 66 L 4.7158 8.3706 120.4277 53.1382 43.0618 174.5852 67 T 4.7636 7.8913 106.6852 60.2560 71.0591 173.0733 68 P 4.2292 0.0000 0.0000 65.1056 31.3360 177.7003 *74 I 4.0667 7.3551 115.3906 60.1799 36.7940 179.7800 75 L 4.6917 7.5917 121.8189 55.4058 43.4620 177.7003 76 E 4.6525 8.2584 116.8190 55.4000 33.8936 174.2154 77 V 4.4908 8.3655 126.2037 61.4021 32.2551 175.4524 78 T 4.1186 8.4025 126.2268 63.9317 68.5802 174.5702 79 N 4.5995 8.7547 124.0117 52.3327 39.6089 174.9014 80 E 3.8877 8.4746 120.4300 58.4618 29.9907 177.2658 81 R 4.1508 8.8379 118.8937 57.5148 28.0621 175.8343 82 N 5.3825 7.3867 113.6353 51.7482 42.9984 173.8381 83 T 5.3472 8.7475 111.5096 61.0604 71.2811 173.5905 84 F 5.2291 9.1441 116.2723 56.7972 41.7408 175.2063 85 A 4.0975 9.5305 121.8875 52.9446 16.3698 179.6780 86 E 3.7489 8.1231 115.1810 58.8379 29.6446 178.7913 87 A 4.1905 8.1213 121.5872 55.1638 18.2170 179.0440 88 M 4.0084 7.7318 116.4068 58.8427 32.0071 178.4730 89 M 3.9011 7.4804 117.8779 56.7040 32.2374 176.5404 90 F 5.0105 7.8321 118.1890 56.5497 38.9504 174.7372 91 M 4.9015 7.5155 115.5125 53.8694 34.1151 175.3034 92 D 4.2282 8.7206 121.8202 56.7994 41.5410 177.5841 93 T 4.1737 7.0969 113.0281 59.8576 69.0402 178.3154 94 P 4.5612 0.0000 0.0000 62.5458 32.4147 175.0012 95 N 5.2196 7.6974 118.1795 51.2155 41.9864 173.5160 96 Y 4.2370 9.0596 123.0858 59.6587 38.9416 178.3572 97 V 4.2237 8.5443 118.3152 60.5395 32.6204 173.1764 98 A 4.6352 7.5075 120.4381 52.8232 23.1482 175.0257 99 T 4.4762 8.1212 115.0004 61.6547 71.4632 173.7235 100 A 4.7289 7.4569 127.7236 49.8540 21.5382 174.8824 101 Q 4.9142 8.5409 123.1709 53.8884 32.7274 174.4146 102 A 4.3786 8.9493 128.5138 52.2763 19.3542 178.1024 103 V 4.3376 8.5551 113.2438 61.2640 33.2845 175.5279 104 V 4.5265 7.4203 112.2689 58.4856 36.3653 172.8021 105 P 4.4209 0.0000 0.0000 63.9133 31.5218 176.3463 106 S 5.0200 9.0897 120.3576 56.5884 67.0258 172.8480 107 Q 5.1059 9.1748 123.7131 54.4465 31.4968 174.3804 108 L 5.3654 8.7086 124.6832 53.0031 46.7948 175.4808 109 F 4.8477 9.0421 120.5012 56.9513 40.7892 174.6502 110 R 4.4254 8.7277 123.8010 54.4052 32.2550 174.4612 111 F 5.0569 8.2078 124.9251 54.3875 42.4830 175.0175 112 S 4.5117 8.1653 116.3148 58.0220 62.8373 174.4792 113 N 4.5510 9.1806 126.4201 56.4622 38.3560 177.1462 114 K 3.8695 8.1832 120.0942 59.7500 32.3916 178.5318 115 A 4.0830 8.0434 120.4880 55.0142 18.2438 179.0769 116 Y 4.0251 8.3414 118.3124 61.0138 38.9899 178.1914 117 L 4.0097 8.4241 120.2707 57.4698 41.4331 179.1093 118 R 3.8501 7.8399 118.0984 59.9175 30.0501 178.1912 119 Q 4.0411 7.8165 116.8721 58.7861 28.7720 178.2455 120 L 3.7835 7.7222 121.3458 58.3850 41.7971 178.9143 121 Q 4.1158 7.7929 116.8849 57.9022 28.6987 176.7728 122 D 4.9185 7.9723 119.0288 53.3756 41.9755 175.9855 123 N 4.8431 7.9866 116.7452 50.9048 39.9687 174.5346 124 T 3.8645 8.3650 121.1622 65.7856 68.8628 173.9726 125 P 4.2036 0.0000 0.0000 65.5637 31.1940 178.3979 126 L 3.8789 7.8185 118.2033 58.1807 42.1883 178.5206 127 A 3.9377 7.9841 120.6756 55.2075 18.1685 179.7564 128 L 3.8283 8.2784 117.4171 57.9623 41.9015 179.3392 129 A 3.9712 7.9996 120.6646 55.3471 18.1817 179.7329 130 L 3.8247 8.1373 117.5348 57.7191 41.5590 179.6083 131 L 3.8633 7.7764 118.8553 57.7487 41.5464 179.4535 132 A 4.0340 8.0107 120.7267 54.7531 18.0968 179.9436 133 K 3.8633 7.8245 116.7224 59.6021 32.1208 179.6200 134 L 3.9406 8.0033 119.3862 57.7277 41.6376 179.3814 135 S 4.1065 8.3390 115.6292 62.3865 62.6197 177.2504 136 T 3.9298 7.6143 116.4608 66.4993 68.5006 176.8012 137 R 4.1484 7.8067 122.6843 59.7454 29.9641 179.5178 138 L 4.2880 8.3170 123.3901 59.4793 40.9186 180.7957 *139 H 4.7374 7.7121 116.5853 58.0480 28.0512 181.9463 140 Q 4.7022 8.7384 129.7650 55.5561 27.2494 184.7662 141 R 3.5501 8.6372 113.6437 59.4520 25.3043 175.4420 142 I 3.7898 6.9523 124.9562 62.4001 36.3161 178.3957 143 D 4.7475 8.2259 122.2608 54.2698 40.4935 179.4953 144 E 4.6032 7.9959 116.0405 57.1513 30.1112 180.9460 145 I 4.0576 7.8172 120.6974 61.2965 35.7680 179.8737 146 E 4.5995 8.6358 121.0038 55.3245 31.0055 171.9674 147 T 4.6604 7.4443 109.2790 62.1511 70.1132 172.6759 148 L 4.6586 8.4570 123.9232 54.5150 42.2684 176.4509 149 S 4.8013 7.7697 114.8520 56.9000 65.2798 174.3729 150 L 4.3064 8.2518 120.3762 55.0512 41.6807 176.7874 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 G 8.35 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 -1 S 8.82 3.97 0.00 4.14 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 H 9.18 3.80 0.00 3.12 3.37 0.00 6.13 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.63 3.28 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 2 E 8.19 3.95 0.00 2.07 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 2.49 2.40 0.00 3 F 8.26 4.06 0.00 3.15 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 4 Q 8.17 3.93 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 R 7.75 3.87 0.00 1.98 2.01 0.00 3.11 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 6 V 7.64 3.60 1.79 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 0.55 0.00 0.00 0.92 0.00 0.00 7 H 7.54 4.75 0.00 2.89 2.92 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.08 3.83 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 9 Q 7.95 3.92 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 10 L 7.81 4.14 0.00 1.80 1.80 1.12 0.70 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 11 L 7.66 3.71 0.00 1.46 1.15 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.17 4.35 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 13 S 7.77 4.47 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 14 H 8.25 5.04 0.00 3.45 3.64 0.00 5.59 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.62 4.27 0.00 3.24 3.41 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.56 4.01 0.00 0.54 0.88 0.55 0.64 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 17 F 7.66 4.90 0.00 3.30 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 18 E 8.38 4.00 0.00 2.25 2.05 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 2.37 2.49 0.00 19 P 0.00 4.43 0.00 2.07 2.08 0.00 3.71 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 2.02 2.11 0.00 20 L 7.62 4.43 0.00 1.81 1.63 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.79 4.37 0.00 4.06 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 22 P 0.00 4.21 0.00 2.17 2.17 0.00 3.60 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 2.12 2.17 0.00 23 V 7.72 3.61 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 1.12 0.00 0.00 0.93 0.00 0.00 24 Q 7.95 4.30 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.21 0.00 25 L 8.20 3.98 0.00 1.77 1.81 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.16 3.96 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 27 E 8.32 3.95 0.00 2.05 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 2.33 2.38 0.00 28 L 8.13 4.19 0.00 1.91 1.91 1.22 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.35 4.15 0.00 1.84 1.97 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.82 4.21 1.34 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 31 S 7.73 4.73 0.00 3.74 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 32 S 8.28 5.03 0.00 3.77 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.38 4.42 0.00 2.64 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 34 L 8.56 5.12 0.00 1.95 1.63 0.66 0.78 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 35 V 8.79 4.47 2.12 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 0.96 0.00 0.00 0.99 0.00 0.00 36 N 8.86 5.33 0.00 2.62 2.70 0.00 0.00 6.91 7.85 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 37 L 8.82 4.80 0.00 1.49 1.49 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.59 4.74 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.53 3.66 0.00 1.66 1.72 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.49 7.81 40 G 8.86 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 41 A 7.63 4.06 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 42 Y 7.91 5.04 0.00 2.95 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 43 V 8.09 3.61 1.47 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 -0.01 0.00 0.00 0.77 0.00 0.00 44 F 6.74 4.75 0.00 2.73 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 45 R 8.11 4.60 0.00 1.69 1.68 0.00 2.82 0.00 0.00 3.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.59 0.00 46 Q 8.19 4.25 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.39 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 47 G 9.17 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 48 E 8.52 4.49 0.00 2.54 2.18 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 2.40 2.34 0.00 49 P 0.00 4.48 0.00 2.12 2.02 0.00 3.48 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.87 0.00 50 A 8.15 2.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.90 0.00 3.06 3.26 0.00 5.57 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 52 A 8.14 5.39 1.06 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 53 F 8.62 5.13 0.00 3.32 3.05 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 54 Y 8.86 5.15 0.00 1.43 2.46 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 55 Y 8.96 5.22 0.00 3.53 3.29 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 56 L 8.95 4.20 0.00 2.04 1.56 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.81 4.28 1.90 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.66 0.94 0.00 0.00 58 S 7.98 4.68 0.00 3.83 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 59 G 10.52 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 60 C 8.52 4.55 0.00 2.98 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 0.00 61 V 8.40 4.79 1.60 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 0.45 0.00 0.00 0.80 0.00 0.00 62 K 8.72 4.93 0.00 1.89 1.87 0.00 1.12 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.71 7.81 63 I 9.28 5.19 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 1.57 0.89 0.00 0.00 64 Y 7.77 5.14 0.00 3.04 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 65 R 8.91 4.87 0.00 1.76 1.94 0.00 3.23 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 66 L 8.37 4.72 0.00 1.65 1.45 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.89 4.76 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 1.24 0.00 0.00 68 P 0.00 4.23 0.00 2.07 2.14 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 *74 I 7.36 4.07 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 1.41 0.63 0.91 0.00 0.00 75 L 7.59 4.69 0.00 1.69 1.75 0.97 0.96 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 76 E 8.26 4.65 0.00 2.04 1.74 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 2.22 2.20 0.00 77 V 8.37 4.49 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 0.82 0.00 0.00 0.91 0.00 0.00 78 T 8.40 4.12 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 1.28 0.00 0.00 79 N 8.75 4.60 0.00 2.73 2.75 0.00 0.00 7.14 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 80 E 8.47 3.89 0.00 1.95 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 2.35 2.38 0.00 81 R 8.84 4.15 0.00 1.99 2.24 0.00 3.46 0.00 0.00 3.39 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 82 N 7.39 5.38 0.00 2.86 2.76 0.00 0.00 6.70 7.05 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 83 T 8.75 5.35 4.68 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 1.57 0.00 0.00 84 F 9.14 5.23 0.00 3.21 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 85 A 9.53 4.10 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 0.00 0.00 0.00 0.00 0.00 86 E 8.12 3.75 0.00 1.48 1.91 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 2.34 2.18 0.00 87 A 8.12 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.73 4.01 0.00 1.81 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.84 0.00 89 M 7.48 3.90 0.00 0.91 1.33 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 90 F 7.83 5.01 0.00 2.98 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 91 M 7.52 4.90 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 92 D 8.72 4.23 0.00 2.68 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 93 T 7.10 4.17 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 94 P 0.00 4.56 0.00 2.00 2.22 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 95 N 7.70 5.22 0.00 2.60 2.95 0.00 0.00 7.09 7.48 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 96 Y 9.06 4.24 0.00 2.93 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 V 8.54 4.22 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 0.93 0.00 0.00 98 A 7.51 4.64 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 99 T 8.12 4.48 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 0.77 0.00 0.00 100 A 7.46 4.73 0.26 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 0.00 0.00 0.00 101 Q 8.54 4.91 0.00 2.40 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 102 A 8.95 4.38 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 0.00 103 V 8.56 4.34 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 0.68 0.00 0.00 0.91 0.00 0.00 104 V 7.42 4.53 2.05 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 0.68 0.00 0.00 0.91 0.00 0.00 105 P 0.00 4.42 0.00 1.90 2.01 0.00 3.58 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 106 S 9.09 5.02 0.00 3.70 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 0.00 107 Q 9.17 5.11 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.06 2.39 0.00 108 L 8.71 5.37 0.00 1.69 1.76 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.04 4.85 0.00 2.89 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 0.00 0.00 0.00 110 R 8.73 4.43 0.00 1.85 1.73 0.00 3.16 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.00 111 F 8.21 5.06 0.00 1.58 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 0.00 112 S 8.17 4.51 0.00 3.86 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 0.00 113 N 9.18 4.55 0.00 2.90 2.85 0.00 0.00 6.19 7.64 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 0.00 114 K 8.18 3.87 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 115 A 8.04 4.08 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 0.00 116 Y 8.34 4.03 0.00 3.53 3.26 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 0.00 117 L 8.42 4.01 0.00 1.72 1.68 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.84 3.85 0.00 2.11 2.09 0.00 3.42 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 119 Q 7.82 4.04 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 120 L 7.72 3.78 0.00 1.54 1.84 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 7.79 4.12 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.19 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 122 D 7.97 4.92 0.00 2.54 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 0.00 123 N 7.99 4.84 0.00 2.81 2.54 0.00 0.00 7.27 7.01 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 0.00 124 T 8.36 3.86 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 1.19 0.00 0.00 125 P 0.00 4.20 0.00 2.13 2.10 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 126 L 7.82 3.88 0.00 1.66 1.68 0.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.98 3.94 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 0.00 128 L 8.28 3.83 0.00 1.82 1.69 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.00 3.97 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 0.00 130 L 8.14 3.82 0.00 1.64 1.30 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.78 3.86 0.00 1.89 1.67 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.01 4.03 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 0.00 133 K 7.82 3.86 0.00 1.86 1.78 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.54 7.81 134 L 8.00 3.94 0.00 1.59 1.66 0.82 0.81 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 0.00 135 S 8.34 4.11 0.00 3.98 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 0.00 136 T 7.61 3.93 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 1.20 0.00 0.00 137 R 7.81 4.15 0.00 1.98 1.97 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 138 L 8.32 4.29 0.00 1.71 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *139 H 7.71 4.74 0.00 3.04 2.98 0.00 7.17 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.74 4.70 0.00 2.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 141 R 8.64 3.55 0.00 1.90 2.10 0.00 3.24 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 142 I 6.95 3.79 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 1.27 1.10 0.91 0.00 0.00 143 D 8.23 4.75 0.00 2.69 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 0.00 144 E 8.00 4.60 0.00 1.96 1.82 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 2.14 1.84 0.00 145 I 7.82 4.06 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 1.27 1.10 0.91 0.00 0.00 146 E 8.64 4.60 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.84 0.00 147 T 7.44 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 1.25 0.00 0.00 148 L 8.46 4.66 0.00 1.64 1.62 0.92 0.83 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 0.00 149 S 7.77 4.80 0.00 3.86 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 0.00 150 L 8.25 4.31 0.00 1.61 1.55 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.