NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2291 8.0932 114.7980 57.8227 64.5475 174.1639 2 L 3.9987 8.6747 119.9639 57.3728 41.0511 179.3078 3 F 4.2771 9.5648 119.0134 60.6850 39.3733 177.1785 4 E 4.0584 8.0646 117.6149 59.2658 29.2708 178.8242 5 L 4.1271 8.2115 120.5241 58.3125 42.0796 179.2717 6 G 3.6639 8.6131 105.9099 47.7225 0.0000 175.4758 7 K 3.9608 8.3365 122.2383 59.4739 32.1448 178.7639 8 M 4.0925 8.5029 119.3222 58.5028 31.8138 178.7812 9 I 3.6085 7.9077 119.9495 64.2714 36.9863 178.2287 10 L 4.2406 8.1357 122.7587 57.7601 41.6747 179.0888 11 Q 3.8197 8.1587 117.3933 58.8718 28.6504 178.1935 12 E 4.3268 8.4349 119.1136 58.8811 29.8962 178.4382 13 T 4.3247 8.3574 109.3341 62.7409 69.4601 176.5306 *15 G 4.1364 7.7171 107.5636 44.5199 0.0000 172.3634 16 K 4.4576 7.8569 119.9213 54.1451 34.3362 175.3259 17 N 4.5066 8.5237 120.0363 53.3746 39.6287 174.0400 18 P 4.4901 0.0000 0.0000 65.9536 31.4971 178.3991 19 A 4.0207 8.0550 120.0730 54.7023 18.2258 179.3239 20 K 3.9371 8.3833 117.0350 60.0278 32.4511 178.9381 21 S 4.4710 7.7233 115.0385 59.7904 62.9722 174.5739 22 Y 4.9014 8.1323 116.4536 57.2632 39.6594 177.5829 23 G 3.5687 8.4614 110.6903 48.2292 0.0000 173.3893 24 A 4.6332 7.5618 120.4848 51.5338 20.3252 173.8106 25 Y 5.0186 8.8210 122.1946 57.6071 42.6293 176.0372 26 G 3.6395 8.0844 116.2108 47.0193 0.0000 172.8767 27 C 4.6975 9.0548 116.6008 57.5249 40.9216 173.6996 28 N 4.6900 8.6938 115.1010 52.6287 40.6574 173.6569 29 C 4.6363 8.6356 117.2887 56.7610 41.2214 171.2459 30 G 4.1282 8.5629 112.3409 43.6794 0.0000 172.4154 31 V 3.9739 8.2216 115.5782 61.1905 33.5472 174.8372 32 L 3.5411 8.5130 116.4802 57.7552 38.6810 175.9134 33 G 3.6274 7.7535 108.4795 47.1147 0.0000 171.5530 34 R 4.7592 8.0201 120.6396 55.0472 33.1989 175.0843 35 G 4.1535 8.9137 105.8885 45.0567 0.0000 173.3776 36 K 4.0697 8.8143 122.4318 56.0847 32.3836 175.0614 37 P 4.5993 0.0000 0.0000 62.7111 31.9559 176.7014 38 K 3.9009 9.2969 122.2675 58.8909 32.4752 176.3580 39 D 4.4549 7.2313 115.3809 51.6232 41.7926 175.1298 40 A 3.9464 8.7533 119.7394 56.0408 17.8544 179.6894 41 T 3.8070 8.0229 113.7373 67.0806 68.5683 175.9490 42 D 4.5050 8.7679 119.7785 57.4054 41.2401 178.0847 43 R 3.8610 8.2990 119.5751 59.6472 29.9098 177.5923 44 C 4.2117 8.2244 116.2060 60.5940 40.7575 175.7338 45 C 4.1239 7.8457 116.5072 59.7539 40.8850 175.5946 46 Y 4.0124 8.0904 121.4002 60.7984 38.4954 178.1989 47 V 3.7085 8.0919 119.1721 66.2502 31.5948 177.3868 48 H 3.9954 8.3724 118.0871 59.2983 29.6371 177.4632 49 K 3.7172 8.1063 120.3850 59.5241 31.5706 178.7898 50 C 4.2638 7.9926 116.1849 59.8623 40.1241 174.8516 51 C 4.3453 8.3159 119.7985 60.0827 44.5043 175.0426 52 Y 4.2559 8.0469 118.1719 61.0376 36.8578 178.6462 53 K 3.8601 7.8552 119.2396 59.2207 31.9222 178.8288 *57 K 4.4158 7.7494 115.2112 55.7502 34.0128 176.0131 58 L 4.1645 7.6961 119.7272 54.7269 42.0303 176.5887 59 T 4.4398 8.4681 118.9603 63.1929 71.3848 174.2075 60 G 4.0646 10.1727 114.6841 45.2166 0.0000 171.5790 61 C 4.9700 7.4744 112.2012 53.2305 45.4189 172.7648 *67 N 4.9048 8.3853 117.5149 52.9220 38.8198 173.1358 68 P 3.9533 0.0000 0.0000 65.2589 31.9385 179.1393 69 K 3.9378 8.3003 121.5125 59.4541 32.3396 178.8615 *70 K 4.3580 7.7516 116.6091 54.7282 33.6745 177.6534 71 D 4.4479 8.2134 118.6639 54.6936 40.7991 176.5293 72 R 4.3221 8.4047 123.0702 55.3554 31.3560 174.7640 73 Y 4.8024 7.2464 116.1672 56.3228 41.0200 172.9123 74 S 5.1627 8.6418 114.5675 57.1047 64.8053 172.0565 75 Y 5.4512 8.1507 122.2942 56.4203 40.9383 173.4376 76 S 4.7876 9.5957 115.7587 56.5987 67.6883 173.3875 77 W 5.4572 8.9574 131.8739 56.1420 31.2762 175.0816 78 K 4.3644 8.6481 127.4888 55.3053 34.0039 176.4920 79 D 4.3076 9.0271 124.4528 56.1308 39.5656 172.7965 80 K 2.0000 7.1755 109.9815 56.6068 30.1870 175.7182 81 T 4.3517 6.4087 112.5022 61.4697 72.5571 173.7571 82 I 4.6161 8.4693 126.4611 61.4003 37.9848 175.5687 83 V 4.3521 9.3422 128.1943 60.9014 33.5859 174.0869 84 C 4.8250 8.9440 126.2379 57.0403 40.6273 174.3895 85 G 3.9589 9.3339 113.6308 46.4504 0.0000 174.2706 *86 E 4.2533 9.0441 116.9656 57.4686 31.3851 181.3284 87 N 4.0852 8.3428 113.3255 53.9011 38.4763 176.5429 88 N 4.8815 8.4922 124.3377 51.9814 40.9496 173.3103 *90 P 4.2371 0.0000 0.0000 62.8849 33.4785 179.8430 91 C 4.1984 8.1092 116.7921 59.8132 43.0668 175.4407 92 L 3.8198 7.8057 120.0572 57.5230 41.1209 179.3223 93 K 3.7950 8.4553 120.1053 59.4810 32.1171 178.8223 94 E 3.8900 8.2836 119.0201 59.0918 29.2309 179.0772 95 L 3.8733 8.1442 120.8953 58.2154 42.1586 178.1711 96 C 3.6880 7.7209 119.9558 58.9944 44.0923 175.4436 97 E 3.8734 8.2782 120.3279 59.3957 28.9730 178.6196 98 C 4.2957 8.5214 117.0392 60.2662 41.4093 175.9997 99 D 4.3902 8.4894 120.5907 57.2446 40.3712 178.6744 100 K 3.8322 8.6565 120.2452 59.4635 32.0861 178.6367 101 A 3.9712 8.2473 121.4224 55.1532 18.2508 180.0403 102 V 3.4956 7.8704 117.5444 64.6600 31.4452 178.5320 103 A 3.8102 8.0256 121.4268 54.9106 18.2036 179.5782 104 I 3.6148 7.8914 118.4799 64.7138 37.3357 177.8073 105 C 4.2374 8.4442 119.5609 59.7029 43.2177 175.6203 106 L 3.8192 7.8970 119.8893 57.5971 41.3827 179.1911 107 R 4.0308 7.9257 118.6436 59.5980 29.8891 178.4810 108 E 4.1079 8.4556 117.2433 58.5443 29.5864 178.1363 109 N 4.9512 7.6478 114.5163 53.0372 39.1169 176.4506 110 L 4.2412 7.9554 124.4112 57.9220 41.4051 179.6250 111 G 3.7332 8.2702 106.8933 47.9932 0.0000 173.9678 112 T 4.5351 7.7332 107.6913 61.0994 69.3879 173.8160 113 Y 4.0570 8.0745 124.3678 58.3306 39.3158 174.6345 114 N 5.1392 9.1087 125.1935 51.4411 40.9369 175.1008 115 K 4.1099 8.8461 126.2253 58.6495 32.3910 179.1905 116 K 3.9195 8.6109 117.9958 59.2375 32.7071 177.4349 117 Y 4.3526 7.3697 116.3820 57.9999 36.8173 175.2193 118 R 4.0980 7.3854 122.2124 57.3421 30.5210 176.0167 119 Y 3.9593 8.6394 121.8223 59.0541 35.9236 169.2950 120 H 4.0995 7.4550 118.3244 56.4604 30.2393 175.0411 121 L 4.1388 8.2046 126.4951 53.9089 41.1755 176.5267 122 K 4.0357 8.8538 124.4214 59.7679 32.2457 176.4498 123 P 4.4103 0.0000 0.0000 62.6494 31.0904 176.6089 *125 F 5.4121 7.7914 113.2478 58.1919 40.2619 175.7862 126 C 5.2313 8.1616 116.1254 54.9537 43.9372 175.1593 127 K 4.2244 8.5641 121.8447 56.2607 33.3797 175.7785 *129 K 4.3621 8.4017 122.5641 56.2811 32.9022 175.5538 130 A 4.3758 8.6552 129.7466 51.8961 19.2029 176.7574 131 D 4.7049 8.5167 120.2519 53.5876 41.7771 176.3544 132 D 4.5647 8.3090 120.2281 53.0840 40.2587 177.1716 133 C 4.4552 8.6722 116.8600 57.6380 41.1623 173.8676 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 S 8.09 5.23 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 2 L 8.67 4.00 0.00 1.90 1.91 1.05 1.10 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 3 F 9.56 4.28 0.00 2.83 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 E 8.06 4.06 0.00 1.78 1.85 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 1.47 2.23 0.00 5 L 8.21 4.13 0.00 2.10 1.95 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.61 3.66 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 0.00 0.00 0.00 7 K 8.34 3.96 0.00 1.98 2.11 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.47 7.81 8 M 8.50 4.09 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.19 0.00 9 I 7.91 3.61 2.03 0.00 0.00 0.75 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 0.78 0.84 0.00 0.00 10 L 8.14 4.24 0.00 1.74 1.87 0.97 0.77 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 11 Q 8.16 3.82 0.00 2.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 1.79 2.39 0.00 12 E 8.43 4.33 0.00 1.99 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 2.56 2.50 0.00 13 T 8.36 4.32 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 *15 G 7.72 4.14 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 0.00 0.00 0.00 16 K 7.86 4.46 0.00 1.84 1.59 0.00 1.54 0.00 0.00 1.50 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.50 1.31 7.81 17 N 8.52 4.51 0.00 2.74 2.69 0.00 0.00 6.78 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 18 P 0.00 4.49 0.00 2.39 2.38 0.00 3.77 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.23 0.00 19 A 8.05 4.02 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 20 K 8.38 3.94 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.57 7.81 21 S 7.72 4.47 0.00 3.50 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 22 Y 8.13 4.90 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 23 G 8.46 3.57 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 0.00 0.00 0.00 24 A 7.56 4.63 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 25 Y 8.82 5.02 0.00 3.08 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.08 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 27 C 9.05 4.70 0.00 3.18 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 28 N 8.69 4.69 0.00 3.08 2.84 0.00 0.00 6.92 7.96 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 29 C 8.64 4.64 0.00 3.48 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 30 G 8.56 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 0.00 0.00 0.00 0.00 31 V 8.22 3.97 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 0.79 0.00 0.00 0.97 0.00 0.00 32 L 8.51 3.54 0.00 1.80 1.78 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.75 3.63 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 0.00 0.00 0.00 34 R 8.02 4.76 0.00 1.50 1.74 0.00 2.21 0.00 0.00 2.77 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 35 G 8.91 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 0.00 0.00 0.00 36 K 8.81 4.07 0.00 1.79 1.77 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 37 P 0.00 4.60 0.00 1.93 1.98 0.00 3.51 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 1.47 2.02 0.00 38 K 9.30 3.90 0.00 0.89 0.74 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.06 0.68 7.81 39 D 7.23 4.45 0.00 2.91 2.80 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 40 A 8.75 3.95 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 8.02 3.81 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 42 D 8.77 4.50 0.00 2.99 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 8.30 3.86 0.00 2.14 1.99 0.00 3.00 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 44 C 8.22 4.21 0.00 3.12 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 45 C 7.85 4.12 0.00 3.23 3.30 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 46 Y 8.09 4.01 0.00 3.03 3.09 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 47 V 8.09 3.71 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 0.85 0.00 0.00 1.06 0.00 0.00 48 H 8.37 4.00 0.00 3.20 3.26 0.00 5.64 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 K 8.11 3.72 0.00 1.75 1.70 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.33 7.81 50 C 7.99 4.26 0.00 3.06 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 51 C 8.32 4.35 0.00 3.05 3.27 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 52 Y 8.05 4.26 0.00 3.21 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 53 K 7.86 3.86 0.00 1.96 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 *57 K 7.75 4.42 0.00 1.78 1.91 0.00 1.81 0.00 0.00 1.30 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.68 7.81 58 L 7.70 4.16 0.00 1.65 1.53 0.70 0.63 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 59 T 8.47 4.44 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 60 G 10.17 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 61 C 7.47 4.97 0.00 3.23 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 *67 N 8.39 4.90 0.00 2.77 2.87 0.00 0.00 7.68 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 3.95 0.00 1.58 0.49 0.00 3.50 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 69 K 8.30 3.94 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.51 7.81 *70 K 7.75 4.36 0.00 1.79 1.67 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 0.99 7.81 71 D 8.21 4.45 0.00 2.85 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 72 R 8.40 4.32 0.00 1.60 1.54 0.00 2.86 0.00 0.00 4.01 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.12 0.00 73 Y 7.25 4.80 0.00 3.15 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.64 5.16 0.00 3.96 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 8.15 5.45 0.00 3.18 3.07 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 76 S 9.60 4.79 0.00 3.82 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 77 W 8.96 5.46 0.00 3.31 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.65 4.36 0.00 1.73 1.62 0.00 1.89 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.49 7.81 79 D 9.03 4.31 0.00 2.65 2.54 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 0.00 0.00 0.00 0.00 80 K 7.18 2.00 0.00 1.57 1.46 0.00 1.90 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.28 7.81 81 T 6.41 4.35 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 82 I 8.47 4.62 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.63 0.00 0.00 83 V 9.34 4.35 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 1.10 0.00 0.00 1.01 0.00 0.00 84 C 8.94 4.83 0.00 2.99 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 85 G 9.33 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 E 9.04 4.25 0.00 2.00 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 2.23 1.91 0.00 87 N 8.34 4.09 0.00 2.77 2.12 0.00 0.00 6.65 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 88 N 8.49 4.88 0.00 2.83 2.86 0.00 0.00 5.92 7.76 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 *90 P 0.00 4.24 0.00 2.20 2.15 0.00 3.76 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 1.99 2.06 0.00 91 C 8.11 4.20 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.81 3.82 0.00 1.82 1.67 0.97 0.89 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 93 K 8.46 3.79 0.00 1.91 1.88 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.42 7.81 94 E 8.28 3.89 0.00 2.15 1.95 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 2.30 2.38 0.00 95 L 8.14 3.87 0.00 1.62 1.69 0.69 0.75 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 96 C 7.72 3.69 0.00 1.92 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 97 E 8.28 3.87 0.00 2.12 1.95 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 2.46 2.46 0.00 98 C 8.52 4.30 0.00 3.36 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 99 D 8.49 4.39 0.00 2.94 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 0.00 100 K 8.66 3.83 0.00 1.72 1.95 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 101 A 8.25 3.97 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 0.00 102 V 7.87 3.50 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 0.69 0.00 0.00 0.80 0.00 0.00 103 A 8.03 3.81 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 0.00 104 I 7.89 3.61 2.00 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 1.42 0.72 0.90 0.00 0.00 105 C 8.44 4.24 0.00 3.04 3.20 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 0.00 106 L 7.90 3.82 0.00 1.41 1.18 -0.01 0.50 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 0.00 107 R 7.93 4.03 0.00 1.95 2.07 0.00 3.13 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 108 E 8.46 4.11 0.00 2.07 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 0.00 2.35 2.48 0.00 109 N 7.65 4.95 0.00 2.86 2.83 0.00 0.00 6.85 6.02 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 0.00 110 L 7.96 4.24 0.00 1.90 1.76 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.27 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 0.00 112 T 7.73 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 1.26 0.00 0.00 113 Y 8.07 4.06 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.11 5.14 0.00 2.68 2.44 0.00 0.00 6.94 6.98 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 0.00 115 K 8.85 4.11 0.00 1.90 1.90 0.00 1.78 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.77 1.65 7.81 116 K 8.61 3.92 0.00 1.58 1.74 0.00 1.32 0.00 0.00 1.36 0.00 0.00 2.36 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.40 0.46 7.81 117 Y 7.37 4.35 0.00 1.64 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 0.00 0.00 0.00 118 R 7.39 4.10 0.00 1.83 1.56 0.00 3.02 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.36 0.00 119 Y 8.64 3.96 0.00 3.19 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 0.00 120 H 7.45 4.10 0.00 3.27 3.39 0.00 5.94 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 0.00 121 L 8.20 4.14 0.00 1.56 1.23 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.85 4.04 0.00 1.85 2.00 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.44 7.81 123 P 0.00 4.41 0.00 1.77 1.93 0.00 3.32 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 1.94 2.00 0.00 *125 F 7.79 5.41 0.00 3.20 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 0.00 126 C 8.16 5.23 0.00 2.98 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 0.00 127 K 8.56 4.22 0.00 1.74 1.76 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.45 7.81 *129 K 8.40 4.36 0.00 1.82 1.79 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 130 A 8.66 4.38 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 0.00 131 D 8.52 4.70 0.00 2.81 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 0.00 132 D 8.31 4.56 0.00 2.79 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 0.00 133 C 8.67 4.46 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.