NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 5.0005 8.2348 114.8102 58.8877 64.5702 171.6826 3 N 5.0308 7.7688 118.3465 52.5418 41.8528 172.2682 4 T 4.7679 9.1595 116.3719 62.8745 72.5741 173.4550 5 L 4.8603 8.0859 118.0708 54.1655 44.6780 176.3302 6 F 4.8550 7.7503 118.4926 57.5230 42.5971 171.9309 7 D 4.9896 7.1895 123.6741 52.7786 44.6852 173.6283 8 D 4.2997 7.9516 122.0364 54.6514 46.6796 174.3510 9 I 5.2720 7.3671 118.7236 60.2531 41.4091 174.7840 10 F 5.7202 9.3557 125.1986 54.9931 43.4675 173.7114 11 Q 5.3462 8.4569 119.0628 53.6274 32.3334 173.6307 12 V 3.8499 8.7343 126.7889 63.5606 31.7457 176.3658 13 S 4.2663 9.3595 124.9434 60.9179 63.7177 174.2392 14 E 4.8722 7.4875 118.3559 55.5490 32.5430 174.9391 15 V 4.6642 8.5750 124.4538 61.0957 34.3505 174.1320 16 D 4.8377 8.7179 126.2279 52.0600 44.2862 172.5270 17 P 4.8123 0.0000 0.0000 60.6630 30.9796 175.4290 18 G 3.6851 7.9835 121.2982 45.3115 0.0000 171.2303 19 R 3.8697 7.6709 114.5066 58.3606 28.0334 177.6394 20 Y 5.1391 7.4456 113.7535 55.3051 38.1843 176.3063 21 N 4.2218 8.4257 119.7674 55.5952 39.1564 175.7855 22 K 4.7364 7.9143 114.2494 55.5667 35.2513 175.6279 23 V 4.8322 8.1821 119.1409 62.0851 34.7133 172.9899 24 C 5.1567 9.1829 123.4606 58.1370 33.0946 172.6316 25 R 5.1227 8.4958 121.3955 55.0931 31.5554 175.1591 26 I 4.9215 9.1319 127.3824 59.6035 40.9559 174.3983 27 E 5.2303 8.7533 122.9998 54.7263 32.9474 174.8881 28 A 5.5915 9.1764 124.7898 49.1810 23.6101 174.5665 29 A 5.0274 8.5874 120.5587 50.6404 22.4885 175.2518 30 S 4.3933 7.8879 113.1910 56.4152 64.1748 174.1120 31 T 4.4910 7.6230 123.0469 63.7675 68.9560 175.9881 32 T 4.5502 7.0601 115.6241 64.3300 73.5274 174.9953 33 Q 4.3531 8.3231 123.3579 56.1598 30.5086 175.3577 34 D 4.9566 8.4090 119.3303 55.1060 41.5402 177.6691 35 Q 4.3908 7.9702 117.8721 56.9186 31.9746 175.7944 36 C 5.2677 8.1979 119.2867 59.2270 30.9905 172.8014 37 K 5.0019 8.3762 124.2410 54.6858 35.0159 174.8181 38 L 4.9488 8.6351 122.8794 53.9780 46.1079 174.8887 39 T 4.9946 8.7675 121.8362 61.6782 72.0632 172.8709 40 L 4.7440 9.1078 128.5278 53.7145 45.8487 174.5224 41 D 5.0497 8.5060 126.8340 54.6185 41.7964 175.9954 42 I 4.6219 9.4384 123.0377 59.7815 42.3216 173.8990 43 N 4.7254 9.6989 125.3857 53.6010 38.7861 174.7760 44 V 4.3689 7.8885 125.4367 62.9642 31.4015 176.3617 45 E 4.4853 8.6590 120.5243 56.0831 31.4071 176.4682 46 L 4.4807 7.3371 115.3930 53.9680 42.2168 176.5198 47 F 4.9045 7.3646 116.7505 56.7806 40.4938 171.0616 48 P 4.2422 0.0000 0.0000 62.5673 32.1364 176.3846 49 V 3.9552 7.7617 117.6130 62.1162 33.9672 172.8816 50 A 4.5773 7.9244 128.5331 49.4484 21.3803 175.2848 51 A 3.7279 8.3979 121.8470 53.9079 18.1022 174.8436 52 Q 3.6389 8.9212 126.7962 56.2582 25.8804 172.6613 53 D 4.9519 8.0680 121.0013 52.5397 46.1749 174.8308 54 S 5.0760 8.6266 115.7473 57.0594 61.8963 172.9006 55 L 4.9192 8.4581 126.6642 54.6697 44.4544 175.3431 56 T 5.0540 8.3052 118.9107 62.1411 70.1480 173.8344 57 V 4.7325 8.4588 126.2379 61.5662 33.7432 174.6840 58 T 5.4260 8.0620 120.9138 63.9237 73.0675 174.7956 59 I 4.6581 8.4588 121.9318 59.7328 37.1970 176.7894 60 A 3.8359 9.4916 135.0000 52.1467 18.4019 177.9967 61 S 4.8893 9.2421 113.9204 57.3402 63.5267 170.9316 62 S 4.0871 7.8919 123.3692 57.6160 61.2023 175.8500 63 L 3.8833 7.0584 125.0309 56.5122 42.8698 178.7083 64 N 4.3886 8.5461 118.6271 53.3181 37.1124 175.4180 65 L 4.2984 9.1787 120.7264 56.2577 40.8781 174.3562 *76 T 4.1651 7.6603 113.6452 63.3996 69.7855 171.1903 77 R 3.9462 8.1503 125.6034 54.8188 30.2323 176.4168 78 S 4.2037 8.5700 114.8066 58.3033 63.4394 173.7018 79 W 4.6001 8.7683 131.9837 56.6319 31.3796 176.1963 80 R 4.1956 7.6864 124.3645 54.2048 31.7552 177.3163 81 P 4.2161 0.0000 0.0000 61.2424 31.8393 173.9606 82 P 3.9320 0.0000 0.0000 63.8947 29.7760 177.9321 83 Q 3.8390 9.4667 120.8704 56.8421 28.1951 176.9376 84 A 4.3778 7.5796 119.8877 51.6672 17.5847 179.6348 85 G 3.3752 9.3218 112.1881 49.3537 0.0000 174.9096 86 D 4.7576 7.7800 115.7604 53.7274 43.0079 175.5350 87 R 4.2377 7.1522 117.4112 55.3396 30.8797 176.0612 88 S 4.1931 8.4221 113.2230 59.4927 63.3725 174.9777 89 L 4.7589 8.0942 120.8928 53.2994 42.0185 178.5288 90 A 4.5633 7.9860 119.6949 52.0423 17.7924 177.9932 91 D 5.1634 9.8453 116.8514 54.7265 40.1558 177.6161 92 D 4.7254 8.3837 118.5583 55.3725 39.8387 174.8383 93 Y 4.8100 7.7486 115.8990 57.1275 42.0421 175.2593 94 D 4.9749 8.7510 120.2264 54.0634 42.6584 175.6749 95 Y 4.4018 7.3949 115.3470 57.1031 42.0762 172.4507 96 V 4.8861 8.7387 126.5588 60.8781 34.2968 173.9900 97 M 5.0334 8.0148 129.5703 55.6565 35.7094 173.4074 98 Y 5.0095 8.8739 115.7852 57.5331 41.3624 173.8899 99 G 3.3077 8.7232 117.3351 45.6810 0.0000 172.5496 100 T 5.0994 9.3366 120.8136 62.8200 73.7193 172.1291 101 A 5.0018 7.5655 122.9401 50.2937 19.9966 176.2424 102 Y 4.4292 9.1475 120.5835 58.0888 39.6372 175.6572 103 K 4.7683 7.1252 121.4639 53.7937 35.6254 174.7425 104 F 5.1395 8.4770 119.2310 55.5725 38.2339 173.4616 105 E 4.0714 8.2272 122.5330 56.9750 31.4961 176.3858 106 E 4.7136 8.4251 121.5639 54.2177 30.1586 174.1965 107 V 3.8857 8.6329 123.8143 63.6166 29.3518 175.8488 108 S 3.2895 9.3496 116.5387 59.4352 65.1449 175.0657 109 K 3.8504 8.1346 122.3820 58.0968 30.6131 178.1993 110 D 4.9268 8.6556 119.8460 53.2505 38.6440 176.8651 111 L 5.1732 7.7395 119.3159 52.6642 43.5166 176.0759 112 I 4.3501 8.0290 123.8590 60.1053 38.8485 174.3291 113 A 5.0206 8.0500 127.5946 49.2732 21.1491 175.5416 114 V 4.1025 7.9623 115.5898 59.8014 34.5102 174.5469 115 Y 4.8351 8.2675 121.7818 56.8597 40.1170 174.3719 116 Y 5.0921 9.4610 120.0799 56.3262 42.5415 174.4803 117 S 5.0524 9.5228 117.8577 56.7566 66.0873 172.6158 118 F 4.4427 9.6043 126.9360 55.8004 40.1338 174.9712 119 G 3.8819 9.3857 109.1812 45.5192 0.0000 170.5712 120 G 3.1769 6.2712 109.2549 44.6981 0.0000 173.9425 121 L 4.6448 8.2756 123.0937 52.8180 43.2581 176.4309 122 L 5.4585 9.1145 125.2089 54.3741 43.7390 175.7874 123 M 4.6816 8.1058 115.2186 55.3050 35.4067 173.3184 124 R 4.6646 8.9084 125.6062 54.3388 33.6383 173.7065 125 L 5.1668 7.9549 126.1063 53.5204 46.2348 174.4007 126 E 4.7234 7.9448 121.0784 53.1254 33.9388 175.7209 127 G 4.4250 7.8183 115.4436 45.4682 0.0000 173.9357 128 N 5.7166 7.2937 133.8450 54.0658 40.4618 173.4908 129 Y 4.9006 6.5724 112.4095 56.7082 41.3120 175.6459 130 R 4.5327 7.5023 122.3093 55.8097 29.5410 177.4600 131 N 4.5050 8.0735 116.3376 55.6986 39.2600 176.5934 132 L 4.8981 7.8705 116.4169 54.6721 42.7548 176.0902 133 N 4.8835 8.0426 112.7844 55.1314 40.9379 176.1862 134 N 4.6875 7.9197 121.2698 53.2140 36.6044 175.2747 135 L 4.3096 8.1842 122.4353 54.8163 42.5474 177.2320 136 K 4.6072 8.3410 118.0574 56.5224 32.3498 177.1485 137 Q 4.3429 7.7364 119.1138 55.1299 30.0606 176.8883 138 E 3.8104 8.7928 119.8705 59.4628 29.9113 176.7274 139 N 4.6757 8.1854 113.9820 53.4135 38.8125 174.6585 140 A 5.5046 8.0301 131.4507 52.6602 21.0024 174.0708 141 Y 4.6516 8.2924 119.4111 58.0432 39.5460 175.1184 142 L 4.6912 8.4832 125.7530 54.2577 44.3857 175.0022 143 L 4.6651 7.7815 120.5883 53.4472 46.2782 174.9586 144 I 5.6335 8.8185 122.5551 59.0515 41.8229 174.3710 145 R 4.7954 8.4408 120.2601 55.9203 33.1481 175.3127 146 R 4.3206 8.5373 119.4916 56.7896 30.4884 176.1410 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 S 8.23 5.00 0.00 3.99 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 3 N 7.77 5.03 0.00 2.79 2.80 0.00 0.00 7.01 6.65 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 4 T 9.16 4.77 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 1.28 0.00 0.00 5 L 8.09 4.86 0.00 1.75 1.74 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.75 4.85 0.00 3.12 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 7 D 7.19 4.99 0.00 2.56 2.28 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 8 D 7.95 4.30 0.00 2.49 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 5.27 1.84 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 1.39 0.62 1.01 0.00 0.00 10 F 9.36 5.72 0.00 2.92 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 11 Q 8.46 5.35 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.05 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 12 V 8.73 3.85 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 1.00 0.00 0.00 0.96 0.00 0.00 13 S 9.36 4.27 0.00 3.88 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 14 E 7.49 4.87 0.00 2.03 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 2.14 2.15 0.00 15 V 8.57 4.66 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 0.96 0.00 0.00 16 D 8.72 4.84 0.00 2.75 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 17 P 0.00 4.81 0.00 2.11 2.07 0.00 3.82 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 1.89 1.94 0.00 18 G 7.98 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 0.00 0.00 0.00 19 R 7.67 3.87 0.00 1.80 2.00 0.00 3.06 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 20 Y 7.45 5.14 0.00 3.00 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 21 N 8.43 4.22 0.00 2.74 2.96 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 22 K 7.91 4.74 0.00 1.61 1.71 0.00 1.66 0.00 0.00 1.93 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.41 7.81 23 V 8.18 4.83 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 0.72 0.00 0.00 0.88 0.00 0.00 24 C 9.18 5.16 0.00 2.90 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 25 R 8.50 5.12 0.00 2.10 1.83 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 26 I 9.13 4.92 1.86 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 1.24 0.50 0.91 0.00 0.00 27 E 8.75 5.23 0.00 1.87 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 2.21 2.23 0.00 28 A 9.18 5.59 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 29 A 8.59 5.03 1.29 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 0.00 0.00 30 S 7.89 4.39 0.00 3.50 3.79 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 31 T 7.62 4.49 4.16 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 1.17 0.00 0.00 32 T 7.06 4.55 4.13 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 1.10 0.00 0.00 33 Q 8.32 4.35 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.63 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 34 D 8.41 4.96 0.00 2.67 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 35 Q 7.97 4.39 0.00 1.94 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.32 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 36 C 8.20 5.27 0.00 3.17 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 37 K 8.38 5.00 0.00 1.76 1.73 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.68 7.81 38 L 8.64 4.95 0.00 1.59 1.37 0.77 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.77 4.99 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 1.22 0.00 0.00 40 L 9.11 4.74 0.00 1.52 1.31 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.51 5.05 0.00 2.60 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 42 I 9.44 4.62 1.91 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.33 1.29 0.00 0.00 43 N 9.70 4.73 0.00 2.80 2.68 0.00 0.00 6.77 7.51 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 44 V 7.89 4.37 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 0.75 0.00 0.00 1.05 0.00 0.00 45 E 8.66 4.49 0.00 1.90 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 0.00 2.18 2.22 0.00 46 L 7.34 4.48 0.00 1.54 1.57 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.36 4.90 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 48 P 0.00 4.24 0.00 1.92 1.90 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 49 V 7.76 3.96 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 0.68 0.00 0.00 0.69 0.00 0.00 50 A 7.92 4.58 1.22 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 0.00 0.00 0.00 51 A 8.40 3.73 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 52 Q 8.92 3.64 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 53 D 8.07 4.95 0.00 2.57 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 54 S 8.63 5.08 0.00 3.89 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 55 L 8.46 4.92 0.00 1.78 1.72 1.02 1.01 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 56 T 8.31 5.05 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 1.37 0.00 0.00 57 V 8.46 4.73 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 1.21 0.00 0.00 0.63 0.00 0.00 58 T 8.06 5.43 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 1.38 0.00 0.00 59 I 8.46 4.66 1.98 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.18 0.94 0.00 0.00 60 A 9.49 3.84 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 61 S 9.24 4.89 0.00 4.08 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 62 S 7.89 4.09 0.00 4.05 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 63 L 7.06 3.88 0.00 1.52 1.58 0.86 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.55 4.39 0.00 2.61 2.57 0.00 0.00 7.15 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 65 L 9.18 4.30 0.00 1.68 2.03 0.92 0.82 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 *76 T 7.66 4.17 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 1.32 0.00 0.00 77 R 8.15 3.95 0.00 2.02 1.98 0.00 3.29 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 78 S 8.57 4.20 0.00 4.07 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 79 W 8.77 4.60 0.00 3.34 3.23 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 80 R 7.69 4.20 0.00 1.52 1.56 0.00 3.17 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 81 P 0.00 4.22 0.00 1.89 1.72 0.00 3.45 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 82 P 0.00 3.93 0.00 2.15 1.89 0.00 3.81 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 1.94 1.96 0.00 83 Q 9.47 3.84 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.26 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 84 A 7.58 4.38 1.30 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 85 G 9.32 3.38 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 86 D 7.78 4.76 0.00 2.59 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 87 R 7.15 4.24 0.00 1.68 1.86 0.00 3.20 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 88 S 8.42 4.19 0.00 4.07 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 89 L 8.09 4.76 0.00 1.68 1.99 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.99 4.56 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 91 D 9.85 5.16 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 92 D 8.38 4.73 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 4.81 0.00 2.76 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 94 D 8.75 4.97 0.00 2.23 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 95 Y 7.39 4.40 0.00 2.28 2.29 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 96 V 8.74 4.89 2.17 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 1.27 0.00 0.00 0.95 0.00 0.00 97 M 8.01 5.03 0.00 1.97 1.57 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 98 Y 8.87 5.01 0.00 2.54 2.64 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 99 G 8.72 3.31 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 0.00 100 T 9.34 5.10 4.01 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 1.08 0.00 0.00 101 A 7.57 5.00 0.44 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 0.00 0.00 102 Y 9.15 4.43 0.00 3.04 2.85 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 0.00 103 K 7.13 4.77 0.00 1.62 1.28 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.43 7.81 104 F 8.48 5.14 0.00 2.82 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 0.00 105 E 8.23 4.07 0.00 2.20 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 2.45 2.38 0.00 106 E 8.43 4.71 0.00 1.99 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 2.20 2.33 0.00 107 V 8.63 3.89 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 0.82 0.00 0.00 1.07 0.00 0.00 108 S 9.35 3.29 0.00 4.12 4.15 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 0.00 0.00 0.00 109 K 8.13 3.85 0.00 1.94 1.26 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 110 D 8.66 4.93 0.00 2.75 2.66 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 0.00 0.00 0.00 0.00 111 L 7.74 5.17 0.00 2.04 1.60 0.97 0.78 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 0.00 112 I 8.03 4.35 1.85 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 1.31 0.90 0.94 0.00 0.00 113 A 8.05 5.02 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 0.00 114 V 7.96 4.10 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 0.06 0.00 0.00 0.80 0.00 0.00 115 Y 8.27 4.84 0.00 2.10 2.14 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 0.00 116 Y 9.46 5.09 0.00 2.98 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 0.00 117 S 9.52 5.05 0.00 3.31 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 0.00 118 F 9.60 4.44 0.00 3.02 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 0.00 119 G 9.39 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 0.00 0.00 0.00 120 G 6.27 3.18 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 0.00 121 L 8.28 4.64 0.00 1.78 1.67 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.11 5.46 0.00 1.87 1.86 1.06 1.09 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 0.00 123 M 8.11 4.68 0.00 2.38 1.96 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 124 R 8.91 4.66 0.00 1.60 1.53 0.00 2.95 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.60 0.00 125 L 7.95 5.17 0.00 1.45 1.13 0.87 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.94 4.72 0.00 2.08 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 2.17 2.18 0.00 127 G 7.82 4.43 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 0.00 128 N 7.29 5.72 0.00 2.85 2.88 0.00 0.00 6.59 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 0.00 129 Y 6.57 4.90 0.00 3.10 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 0.00 130 R 7.50 4.53 0.00 2.02 2.05 0.00 2.95 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 131 N 8.07 4.51 0.00 2.77 2.93 0.00 0.00 7.00 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 0.00 132 L 7.87 4.90 0.00 1.64 1.66 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.04 4.88 0.00 2.78 3.07 0.00 0.00 7.15 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 0.00 134 N 7.92 4.69 0.00 2.91 3.00 0.00 0.00 7.21 9.20 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 0.00 135 L 8.18 4.31 0.00 1.75 1.69 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.34 4.61 0.00 1.55 1.36 0.00 1.51 0.00 0.00 1.25 0.00 0.00 2.64 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.38 1.20 7.81 137 Q 7.74 4.34 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.39 0.00 138 E 8.79 3.81 0.00 1.97 1.96 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 2.38 2.22 0.00 139 N 8.19 4.68 0.00 2.88 2.94 0.00 0.00 6.73 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 0.00 140 A 8.03 5.50 1.67 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 0.00 0.00 141 Y 8.29 4.65 0.00 2.81 2.86 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 0.00 0.00 0.00 142 L 8.48 4.69 0.00 1.75 1.28 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.78 4.67 0.00 0.91 0.13 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.82 5.63 1.61 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.07 0.90 0.00 0.00 145 R 8.44 4.80 0.00 1.77 1.93 0.00 2.76 0.00 0.00 2.79 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 146 R 8.54 4.32 0.00 2.14 2.17 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.