NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4408 8.1233 122.4794 52.1236 20.5387 175.1694 2 T 5.0333 8.6570 119.3060 61.2548 70.6881 172.1663 3 W 5.1759 10.6927 127.9225 55.5396 32.3606 174.8832 4 T 5.2568 9.0923 120.3701 62.1186 71.0357 172.6433 5 C 5.5452 9.8139 123.0712 55.1836 44.4262 172.8848 6 I 5.1568 8.3966 121.4918 59.6459 39.6344 174.5751 7 N 5.1858 9.4502 125.0672 51.9824 42.7046 172.9794 8 Q 4.9484 9.0635 124.9269 55.3722 30.4713 174.9045 9 Q 4.7602 8.8861 121.5689 53.7362 32.9554 175.9648 10 L 4.3267 8.2821 124.3480 53.9968 40.0066 175.1049 *18 E 4.1172 7.9909 119.1458 55.3439 31.1795 175.7374 19 D 4.8781 8.6842 122.2899 54.3028 41.7419 175.3657 20 K 4.5991 9.3810 125.2302 54.5353 35.0180 174.4028 21 R 5.0589 8.6171 127.4299 54.9164 31.6690 175.1038 22 L 4.8473 9.3341 126.0071 52.8986 45.5065 175.3081 23 L 5.3438 8.3478 122.5318 53.2610 44.2448 175.4469 24 Y 4.7718 9.0273 119.8479 56.2005 42.3274 174.6160 25 S 4.9319 8.6991 117.7302 57.3507 63.7683 174.7710 26 Q 3.8797 9.4301 128.9567 59.1348 28.7741 178.3073 27 A 3.8780 7.9239 121.4695 55.0007 18.4529 179.6169 28 K 3.9189 7.7009 116.3947 59.5020 32.2151 179.5142 29 A 4.1404 7.8031 120.6486 55.2592 18.2705 179.5710 30 E 3.7124 8.0969 117.2509 59.4219 29.5503 179.5616 31 S 4.1045 8.0101 113.3085 61.1854 62.5184 175.9482 32 N 4.6543 8.4583 120.9078 55.9042 38.1555 177.5165 33 S 3.4092 7.4539 113.9188 61.5289 62.8689 175.9551 34 H 4.2543 7.4231 118.5862 58.6166 28.4981 176.6840 35 H 4.4011 7.7927 117.9547 56.8744 30.2168 175.3743 36 A 3.7213 6.6333 123.3312 50.9377 18.7083 175.5687 37 P 4.3430 0.0000 0.0000 62.5980 32.1609 177.1013 38 L 4.5505 8.0219 120.6770 53.3463 40.2325 175.6016 39 S 4.6520 7.8794 114.6120 56.7448 65.6756 173.8849 40 D 4.6362 8.5780 126.8306 53.5746 39.4713 175.5125 41 G 4.0022 9.1318 111.5982 46.0676 0.0000 172.9183 42 K 4.4953 7.8933 119.0105 54.4681 30.5521 175.2874 43 T 4.9806 7.2554 110.1613 59.8143 72.6010 175.8843 44 G 3.8021 9.5075 111.2823 48.0952 0.0000 175.2568 45 S 4.4330 8.3466 113.1160 58.7283 63.5957 175.2330 46 S 4.3589 8.1312 114.5536 58.1150 62.1265 168.1499 47 Y 4.8870 7.7021 118.6491 55.7517 39.8380 173.7199 48 P 5.4325 0.0000 0.0000 63.3286 33.5332 174.2270 49 H 5.4311 8.7861 114.6948 53.5377 32.3830 172.4969 50 W 4.9744 9.2418 129.9121 58.5334 31.0640 174.9239 51 F 4.7682 9.0644 129.8811 56.5508 39.6735 175.3571 52 T 2.8771 7.6868 117.7657 62.4623 69.0573 174.8385 53 N 3.2475 7.7215 118.1299 53.9539 37.4338 174.9703 54 G 3.7303 7.9322 102.7646 44.7967 0.0000 173.1463 55 Y 4.9515 7.3263 116.5699 55.9726 40.5741 174.8777 56 D 4.9512 8.7752 122.0418 51.9107 41.3961 177.5581 57 G 3.7726 8.7011 106.0825 46.9301 0.0000 174.3530 58 N 4.6043 8.7384 116.5559 52.9071 39.0110 175.8611 59 G 3.9192 8.5599 106.9287 45.2006 0.0000 173.4063 60 K 4.5398 8.0355 119.4090 54.4792 33.4722 175.4538 61 L 4.0660 8.5106 126.2036 54.8661 42.6683 176.5381 62 I 3.9752 8.4031 127.7148 60.6789 38.4953 175.4364 63 K 4.0007 8.4774 127.7134 58.1140 32.0121 177.0101 64 G 3.9555 9.2826 116.2154 45.1748 0.0000 173.3661 65 R 4.3217 7.1120 117.8393 55.1635 31.3483 176.0756 66 T 4.4134 7.9343 116.9804 60.9737 70.7198 172.5751 67 P 4.6581 0.0000 0.0000 61.6652 32.1155 176.2826 68 I 3.8139 8.6416 123.0044 60.7145 37.6652 175.5883 69 K 4.3396 8.2172 126.0327 55.0826 33.0434 175.9225 70 F 4.5292 9.5937 125.8020 57.9131 39.6477 177.2152 71 G 4.0840 9.3893 107.6690 45.1031 0.0000 173.3627 72 K 4.6221 7.9979 118.6187 53.6735 35.5137 176.6372 73 A 4.0696 8.8065 126.1592 55.5941 18.0856 179.2116 74 D 4.4268 8.1148 115.9897 57.3994 40.9719 178.8115 75 C 4.5594 7.9932 115.2720 58.6752 40.9054 174.6808 76 D 4.5947 8.1163 118.0330 53.8123 41.2174 176.7686 77 R 4.0942 7.0849 119.5527 55.0973 30.7597 174.4559 78 P 3.5216 0.0000 0.0000 61.7924 31.8552 174.3925 79 P 4.8017 0.0000 0.0000 62.1669 33.4641 175.2470 80 K 4.4669 8.9317 120.6337 54.9401 34.9386 174.5187 81 H 4.4884 8.9832 128.4689 54.1069 32.0767 173.2884 82 S 4.1802 8.9156 122.4538 57.7982 63.5456 175.7277 83 Q 3.8010 8.1750 121.4647 58.5860 28.4759 178.3514 84 N 4.6735 7.7234 111.2968 51.6861 38.1659 174.9018 85 G 3.4967 7.9419 106.3597 46.7437 0.0000 174.0682 86 M 4.7206 7.6400 115.5960 54.2495 33.4966 176.3079 87 G 3.8936 8.2675 108.2809 44.6704 0.0000 175.1151 88 K 4.1513 8.5850 119.7770 58.6622 32.7553 177.3109 89 D 4.8382 7.8006 117.5425 53.9359 41.6983 176.0317 90 D 4.9146 7.6670 119.8808 55.1360 41.7745 176.1560 91 H 4.9805 9.0553 117.4011 55.2518 32.1188 172.2590 92 Y 5.0724 8.1924 120.5664 56.2141 41.9756 173.1489 93 L 4.9695 9.0383 118.5026 53.7552 44.0899 176.0404 94 L 5.4014 8.7359 122.1760 52.8308 45.0996 175.2474 95 E 5.1035 9.1178 119.9567 54.6612 32.8495 174.6156 96 F 4.9625 8.8192 123.1111 55.8306 43.4269 171.8782 97 P 4.2045 0.0000 0.0000 62.8737 31.5150 175.5319 98 T 4.5713 7.6173 117.1767 60.4136 70.9054 172.8399 99 F 5.1982 8.5472 123.1579 54.9131 43.1767 174.2067 100 P 4.1235 0.0000 0.0000 65.7257 31.1407 177.8254 101 D 4.4097 8.1718 115.6755 54.1622 39.6581 177.3384 102 G 4.0491 8.3869 108.1570 45.5858 0.0000 173.6523 103 H 4.4066 8.4290 115.1885 55.3073 28.9416 174.8743 104 D 4.7766 8.6520 121.5091 53.7029 41.2517 175.5627 105 Y 4.4117 9.0011 125.9238 57.8361 39.4845 176.6742 106 K 4.0853 8.0573 127.2430 55.1182 30.7214 177.5594 107 F 4.6894 8.3171 119.3984 59.0579 38.6288 177.0157 108 D 4.9771 7.1223 120.0801 53.7131 41.1362 175.9853 109 S 4.1021 7.6160 115.8371 58.1789 63.3168 173.7814 110 K 4.3585 8.4049 124.5996 56.3520 35.0459 177.2066 111 K 4.0886 8.1926 117.7964 57.4351 28.2220 171.5891 112 P 4.7042 0.0000 0.0000 60.8338 33.0551 176.3365 113 K 4.2933 8.3971 122.0267 55.7286 32.8754 176.3405 114 E 3.9959 8.6051 127.7017 55.8258 30.0910 175.9305 115 N 4.5431 8.7627 124.6389 53.2968 39.2003 173.0314 116 P 4.2495 0.0000 0.0000 63.1461 32.1765 177.6165 117 G 3.9676 8.1407 108.4937 44.5033 0.0000 170.7510 118 P 4.7226 0.0000 0.0000 63.2498 33.1861 175.1673 119 A 4.9346 7.6456 122.5270 50.3540 21.5772 175.9476 120 R 4.8678 8.4019 119.2454 54.1567 34.8452 174.7454 121 V 4.2337 8.7105 123.2107 60.8140 33.4772 174.7773 122 I 4.8275 8.1604 126.0189 59.7600 39.3612 174.3544 123 Y 5.2323 8.0030 123.6702 55.9964 42.1448 173.9964 124 T 4.6896 8.8894 110.2334 61.2410 71.2791 172.8929 125 Y 4.9482 8.6397 124.4251 55.3178 41.1814 174.2185 126 P 3.7745 0.0000 0.0000 62.6908 31.9944 175.6534 127 N 4.5339 7.8805 115.3409 52.6517 39.0700 174.6647 128 K 4.1417 7.8837 116.8471 57.3294 30.4323 175.6848 129 V 3.9164 8.1241 118.8882 62.5342 32.8646 174.8657 130 F 4.4847 8.9344 130.6427 58.9909 39.3120 174.7810 131 C 4.1523 8.3804 124.1884 56.9366 41.2790 174.0755 132 G 3.2046 5.3800 103.0137 46.2221 0.0000 170.6080 133 I 4.5957 5.8573 119.5396 59.3297 39.6065 175.8103 134 V 4.9515 8.3377 118.6324 59.6588 36.1800 174.2906 135 A 4.9182 8.8849 122.5759 50.4821 22.8609 175.6052 136 H 4.6522 8.8146 118.6699 56.3195 29.0144 175.9574 137 Q 4.2366 9.1385 122.5323 58.5463 29.6570 176.9815 138 R 4.8473 7.5370 115.9989 55.0754 33.9910 176.5447 139 G 3.7552 8.7196 112.1239 46.7615 0.0000 174.0950 140 N 4.9339 8.6739 122.8281 52.5630 39.0738 173.7259 141 Q 3.9829 7.7503 115.1411 55.3472 31.7626 173.5322 142 G 3.8947 8.4479 102.5050 43.8503 0.0000 172.6890 143 D 4.5694 8.7271 119.5530 54.6952 42.0651 175.5772 144 L 5.1928 8.5027 121.7420 53.1648 44.2897 176.0598 145 R 4.7231 8.9161 120.9980 53.9394 34.4290 174.5369 146 L 4.4127 8.5229 125.0193 55.4578 42.6398 177.3523 147 C 4.9160 9.1269 124.1745 56.8907 42.0499 173.2539 148 S 4.8671 8.6554 116.2709 57.6760 65.5922 174.2051 149 H 4.0463 7.9973 114.6360 56.1705 27.4905 173.6581 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 A 8.12 4.44 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 2 T 8.66 5.03 4.30 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 1.35 0.00 0.00 3 W 10.69 5.18 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.09 5.26 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 1.33 0.00 0.00 5 C 9.81 5.55 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 6 I 8.40 5.16 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.92 0.94 0.00 0.00 7 N 9.45 5.19 0.00 2.72 2.64 0.00 0.00 6.81 7.09 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 8 Q 9.06 4.95 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.46 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 9 Q 8.89 4.76 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.43 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 10 L 8.28 4.33 0.00 1.65 1.61 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *18 E 7.99 4.12 0.00 2.22 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 0.00 2.48 2.36 0.00 19 D 8.68 4.88 0.00 2.60 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 20 K 9.38 4.60 0.00 1.76 1.83 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 21 R 8.62 5.06 0.00 1.88 1.83 0.00 3.25 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 22 L 9.33 4.85 0.00 1.74 1.37 1.05 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.35 5.34 0.00 1.43 1.57 0.97 0.78 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 24 Y 9.03 4.77 0.00 2.99 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 25 S 8.70 4.93 0.00 3.91 3.78 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 26 Q 9.43 3.88 0.00 2.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 27 A 7.92 3.88 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 28 K 7.70 3.92 0.00 2.12 1.92 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.48 7.81 29 A 7.80 4.14 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.10 3.71 0.00 1.78 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 0.00 1.50 1.53 0.00 31 S 8.01 4.10 0.00 3.93 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 32 N 8.46 4.65 0.00 3.03 3.06 0.00 0.00 6.43 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 33 S 7.45 3.41 0.00 2.72 3.35 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 H 7.42 4.25 0.00 3.22 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 7.79 4.40 0.00 3.30 3.35 0.00 5.95 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.63 3.72 0.27 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 37 P 0.00 4.34 0.00 1.99 1.76 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.52 0.00 38 L 8.02 4.55 0.00 1.72 1.87 0.80 0.90 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 39 S 7.88 4.65 0.00 3.80 3.68 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 40 D 8.58 4.64 0.00 2.65 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 41 G 9.13 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 0.00 0.00 0.00 42 K 7.89 4.50 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.53 7.81 43 T 7.26 4.98 4.94 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 1.36 0.00 0.00 44 G 9.51 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 45 S 8.35 4.43 0.00 4.48 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 0.00 46 S 8.13 4.36 0.00 4.04 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 0.00 47 Y 7.70 4.89 0.00 3.28 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 48 P 0.00 5.43 0.00 2.33 2.64 0.00 3.80 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.17 0.00 49 H 8.79 5.43 0.00 3.20 3.61 0.00 5.48 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 W 9.24 4.97 0.00 3.16 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 51 F 9.06 4.77 0.00 2.89 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 52 T 7.69 2.88 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 -0.30 0.00 0.00 53 N 7.72 3.25 0.00 2.57 2.95 0.00 0.00 7.32 8.36 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 54 G 7.93 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 55 Y 7.33 4.95 0.00 3.17 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.78 4.95 0.00 3.00 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 57 G 8.70 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 0.00 0.00 0.00 58 N 8.74 4.60 0.00 2.92 2.88 0.00 0.00 7.11 7.29 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 59 G 8.56 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 0.00 0.00 0.00 60 K 8.04 4.54 0.00 2.10 1.79 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.53 7.81 61 L 8.51 4.07 0.00 1.67 1.51 0.86 0.48 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 62 I 8.40 3.98 1.75 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 1.21 1.38 0.85 0.00 0.00 63 K 8.48 4.00 0.00 1.74 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.43 7.81 64 G 9.28 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 65 R 7.11 4.32 0.00 1.76 1.69 0.00 3.15 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 66 T 7.93 4.41 4.17 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 1.15 0.00 0.00 67 P 0.00 4.66 0.00 2.05 2.08 0.00 3.63 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 68 I 8.64 3.81 1.68 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.45 0.21 0.00 0.00 69 K 8.22 4.34 0.00 1.66 1.66 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.46 7.81 70 F 9.59 4.53 0.00 3.11 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 71 G 9.39 4.08 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 0.00 0.00 0.00 72 K 8.00 4.62 0.00 1.82 1.74 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.17 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.58 7.81 73 A 8.81 4.07 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 74 D 8.11 4.43 0.00 2.65 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 7.99 4.56 0.00 3.15 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 76 D 8.12 4.59 0.00 2.75 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 77 R 7.08 4.09 0.00 1.98 1.84 0.00 3.43 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 78 P 0.00 3.52 0.00 1.96 1.75 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.92 0.00 79 P 0.00 4.80 0.00 2.23 2.26 0.00 3.03 0.00 0.00 3.08 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 80 K 8.93 4.47 0.00 1.55 1.52 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.28 1.32 7.81 81 H 8.98 4.49 0.00 1.95 1.91 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.92 4.18 0.00 3.90 3.62 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 83 Q 8.18 3.80 0.00 1.95 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 84 N 7.72 4.67 0.00 2.70 2.81 0.00 0.00 6.03 7.00 0.00 0.00 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 7.94 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.64 4.72 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 87 G 8.27 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 8.58 4.15 0.00 1.88 1.96 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 89 D 7.80 4.84 0.00 2.67 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 90 D 7.67 4.91 0.00 2.82 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 91 H 9.06 4.98 0.00 3.22 3.37 0.00 5.48 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.19 5.07 0.00 3.24 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 93 L 9.04 4.97 0.00 2.19 1.81 1.37 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.74 5.40 0.00 0.41 1.18 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.12 5.10 0.00 1.84 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 2.26 2.21 0.00 96 F 8.82 4.96 0.00 3.38 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 97 P 0.00 4.20 0.00 0.84 1.12 0.00 2.20 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 98 T 7.62 4.57 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 0.82 0.00 0.00 99 F 8.55 5.20 0.00 3.25 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 0.00 100 P 0.00 4.12 0.00 1.97 1.99 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.41 0.00 101 D 8.17 4.41 0.00 2.80 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 0.00 102 G 8.39 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 0.00 0.00 0.00 103 H 8.43 4.41 0.00 3.27 3.30 0.00 5.56 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.65 4.78 0.00 2.88 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 0.00 105 Y 9.00 4.41 0.00 2.96 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.06 4.09 0.00 1.56 1.48 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.28 7.81 107 F 8.32 4.69 0.00 3.94 4.04 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 0.00 108 D 7.12 4.98 0.00 2.37 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 0.00 109 S 7.62 4.10 0.00 4.06 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 0.00 110 K 8.40 4.36 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.48 7.81 111 K 8.19 4.09 0.00 1.86 2.12 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 112 P 0.00 4.70 0.00 2.18 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 113 K 8.40 4.29 0.00 1.82 1.83 0.00 1.95 0.00 0.00 1.76 0.00 0.00 3.44 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.58 1.64 7.81 114 E 8.61 4.00 0.00 1.77 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 2.51 2.23 0.00 115 N 8.76 4.54 0.00 2.80 2.84 0.00 0.00 7.10 7.69 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 0.00 116 P 0.00 4.25 0.00 1.76 1.79 0.00 4.04 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 117 G 8.14 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.72 0.00 2.15 2.43 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 119 A 7.65 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.40 4.87 0.00 1.39 1.55 0.00 3.08 0.00 0.00 2.81 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 121 V 8.71 4.23 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 0.84 0.00 0.00 1.05 0.00 0.00 122 I 8.16 4.83 1.19 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.49 0.00 0.00 123 Y 8.00 5.23 0.00 3.07 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 0.00 124 T 8.89 4.69 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 1.23 0.00 0.00 125 Y 8.64 4.95 0.00 2.58 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 0.00 0.00 0.00 126 P 0.00 3.77 0.00 1.71 1.05 0.00 3.63 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 127 N 7.88 4.53 0.00 2.68 2.85 0.00 0.00 7.04 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 0.00 128 K 7.88 4.14 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.42 7.81 129 V 8.12 3.92 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 0.93 0.00 0.00 1.00 0.00 0.00 130 F 8.93 4.48 0.00 2.98 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 0.00 131 C 8.38 4.15 0.00 1.94 1.44 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 0.00 132 G 5.38 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 0.00 0.00 0.00 133 I 5.86 4.60 1.11 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.05 0.33 0.00 0.00 134 V 8.34 4.95 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 0.68 0.00 0.00 0.62 0.00 0.00 135 A 8.88 4.92 1.13 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 0.00 136 H 8.81 4.65 0.00 3.12 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 9.14 4.24 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 138 R 7.54 4.85 0.00 1.73 1.80 0.00 3.41 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 139 G 8.72 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.67 4.93 0.00 2.71 2.90 0.00 0.00 6.54 7.69 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 0.00 141 Q 7.75 3.98 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.40 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 142 G 8.45 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.73 4.57 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 8.50 5.19 0.00 1.61 1.54 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.92 4.72 0.00 1.72 1.77 0.00 3.18 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 146 L 8.52 4.41 0.00 1.59 1.59 1.26 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 0.00 147 C 9.13 4.92 0.00 3.34 3.36 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 0.00 148 S 8.66 4.87 0.00 3.87 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 0.00 149 H 8.00 4.05 0.00 2.67 2.00 0.00 5.56 0.00 0.00 0.00 0.00 6.91 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.