NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4123 8.3349 115.2901 57.4095 63.5874 173.2717 3 L 3.9896 8.3103 124.0502 53.4625 41.8374 175.8121 4 S 4.6609 8.8079 115.7789 58.1584 64.9926 172.4311 5 G 3.7855 8.0273 105.7530 44.8423 0.0000 173.0333 6 V 4.0994 8.2295 120.7255 61.5909 32.5320 176.9468 7 S 4.2684 8.8396 122.6713 60.9349 62.6195 173.1561 8 H 4.7683 7.0748 111.4822 55.1576 30.6256 173.4601 9 V 4.4031 8.3536 119.5077 61.1825 34.0429 173.9632 10 S 5.2190 8.7974 122.6138 56.7393 63.8772 172.7757 11 L 4.7960 9.0413 127.5548 53.3354 44.2853 175.5871 12 T 4.9494 8.4308 119.4999 62.8222 69.5545 174.6340 13 V 4.4772 8.8829 119.4169 59.4526 35.4411 177.0988 14 R 3.7573 9.2382 124.2653 58.6823 30.3408 176.7953 15 D 4.8526 7.7633 117.8014 51.4454 43.5181 175.1309 16 L 3.9257 9.3066 129.9394 58.6675 42.1918 178.6065 17 D 4.4102 8.1766 117.8979 57.5256 40.8192 178.7724 18 I 3.7931 8.2898 120.2567 64.5880 37.1105 178.7506 19 S 4.3243 8.2354 115.9963 61.6691 62.6430 176.4189 20 C 3.8894 8.3880 119.6933 63.0301 27.8978 176.4922 21 R 4.0645 8.1028 119.4225 58.8342 29.5312 178.9601 22 W 3.8998 8.3121 128.1691 60.8393 30.7774 177.7480 23 Y 3.9029 8.8561 117.0991 61.1303 37.0641 178.7092 24 T 4.7195 8.3357 118.1114 66.3439 68.4449 176.3433 25 E 3.8226 8.0674 119.7751 59.1067 29.7127 178.5582 26 I 3.5460 7.1980 118.7102 63.2710 37.1385 176.9844 27 L 4.4107 7.5379 117.0066 53.7572 41.9055 176.5217 28 D 4.6926 7.8480 116.8871 54.7470 39.1439 173.8410 29 W 4.3667 7.7204 129.1955 57.4823 31.4109 174.3094 30 K 4.4902 8.3153 126.8640 54.0609 34.0230 174.6439 31 E 3.3518 8.1506 129.2233 56.2169 29.4772 176.0869 32 L 4.5171 8.4344 127.0338 55.6615 43.8319 177.3669 33 V 4.3699 6.9554 114.4661 60.8351 33.7370 171.6638 34 R 4.7375 8.7789 119.6497 54.8402 32.3701 175.3161 35 G 3.5211 6.8417 108.6853 44.4823 0.0000 170.9053 36 R 4.8376 8.4646 118.8063 54.4167 32.8688 176.0722 37 G 4.4612 9.0646 115.4213 44.0058 0.0000 171.8581 38 D 4.4545 8.8811 118.1571 57.3672 41.4804 178.2231 39 T 5.0749 8.1299 106.5058 60.3426 70.4353 172.3206 40 T 5.2102 7.8757 111.0880 60.8589 73.1023 172.2462 41 S 5.2966 9.0604 117.8982 56.7561 66.2407 173.4988 42 F 5.5965 8.6921 117.4110 55.4109 42.1495 173.5462 43 A 5.0738 9.2333 120.9241 51.1192 22.3802 174.4600 44 H 5.3267 10.0324 124.0701 55.1831 31.8526 174.3063 45 G 3.4301 9.5275 111.7338 44.5417 0.0000 170.8960 46 V 5.0041 7.9741 118.4721 60.9916 35.0981 174.6577 47 L 4.9835 8.9123 126.2390 52.4007 44.2003 174.5133 48 P 4.4222 0.0000 0.0000 64.2645 31.7329 177.0172 49 G 3.9513 8.5407 110.2353 44.6847 0.0000 174.4749 50 G 4.0169 7.9681 106.9052 44.8363 0.0000 173.7771 51 L 4.1630 7.9950 122.8667 55.4550 43.3657 175.7759 52 S 5.2083 8.8493 122.4778 57.8842 64.9182 173.0610 53 I 5.1596 9.1827 125.0183 59.5978 40.8208 174.3448 54 V 4.9963 9.0362 127.6769 61.2630 33.7611 174.2048 55 L 4.8878 9.0048 128.4138 53.3972 43.8086 175.5780 56 R 5.1144 9.1597 123.7031 54.6111 33.5582 173.0581 57 E 5.3074 9.2374 127.8977 54.1930 31.7986 174.0847 58 H 4.9639 8.7567 124.2751 54.7473 30.0004 176.0254 59 D 4.3452 9.4691 124.3797 57.1538 40.8990 178.3027 60 G 4.1042 8.1165 105.5487 45.2782 0.0000 173.5876 61 G 4.1350 8.0414 111.6802 44.5944 0.0000 175.2409 62 G 3.9598 8.9607 110.7404 45.8993 0.0000 174.0157 63 T 4.3013 7.7466 109.1554 62.1119 70.2472 174.6599 64 D 4.8278 7.7998 120.0573 52.7047 42.7465 175.2476 65 L 4.7459 7.8540 120.2037 52.4135 44.2624 176.4288 66 F 4.1083 8.5763 122.6914 58.6092 39.7521 174.5334 67 D 4.1132 7.4292 126.7448 52.1589 42.0379 175.1185 68 E 3.6527 8.0278 125.5766 58.6033 29.4935 178.1975 69 T 4.1129 7.9479 108.4478 62.3371 69.3721 174.6408 70 R 4.4973 7.5957 122.1195 53.6970 31.7883 174.4893 71 P 4.3000 0.0000 0.0000 63.4776 32.7692 174.5707 72 G 3.9579 8.1232 109.0595 44.3887 0.0000 174.5743 73 L 4.2497 8.3990 128.7071 54.4847 42.8493 175.6367 74 D 4.5971 8.7335 126.2023 55.9249 41.7874 175.4396 75 H 4.7922 7.2767 110.0286 54.7381 31.1366 172.2582 76 L 4.4886 8.2978 122.1820 53.2815 44.3100 174.7619 77 S 5.0205 8.4359 121.0000 56.5737 64.0796 173.0469 78 F 5.0609 9.1729 126.2962 56.4376 41.0720 175.2482 79 S 4.7923 8.8057 117.9316 57.5712 64.0376 174.2181 80 V 4.6162 8.1376 116.9073 59.6106 34.7264 175.5500 81 E 4.4293 8.8494 121.2154 58.5310 31.3740 176.9650 82 S 4.3975 7.9907 112.2291 58.3479 64.1304 176.2377 *84 T 4.3603 8.8799 115.6041 63.5561 70.2113 175.3073 85 D 4.3016 7.8594 120.8045 57.4145 40.6864 178.9345 86 L 3.9710 7.7228 118.9018 57.7397 41.7319 179.0363 87 D 4.2725 7.8462 118.4165 57.3496 40.7521 178.9025 88 V 3.6879 7.9376 120.3758 65.2977 31.5107 178.0004 89 L 3.6570 7.7227 118.6842 57.8330 41.3691 179.3250 90 E 3.3269 8.0484 118.4346 59.1747 28.9814 179.3344 91 E 3.8572 7.8819 118.4022 59.4769 29.4876 179.6995 92 R 3.8181 7.8675 118.0655 59.0535 29.9950 179.0845 93 L 3.7107 7.8262 118.8904 57.5423 41.4218 179.4430 94 A 4.2527 7.8016 120.7285 55.2883 18.2033 179.4415 95 K 3.7672 7.9788 116.6139 59.5836 32.3034 178.0357 96 A 4.3061 8.1204 118.5439 51.8279 18.6765 177.6029 97 G 3.8216 8.1518 105.1045 46.2896 0.0000 174.0511 98 A 4.6371 8.2948 121.3130 51.0681 20.0302 177.6521 99 A 4.6481 8.5878 121.0764 51.4205 20.1187 176.6839 100 F 5.2830 8.1378 115.5236 56.6222 40.1850 173.1939 101 T 4.6161 8.6568 110.3347 58.9936 71.0257 172.5989 102 P 4.7209 0.0000 0.0000 63.0131 32.0417 176.4369 103 T 4.2512 8.4313 117.6456 64.4963 69.1124 173.3055 104 Q 4.6958 9.4524 127.6633 54.2956 31.5814 173.7174 105 E 4.1565 8.8216 127.5132 55.2574 30.5266 175.1993 106 L 4.7195 8.3568 126.1375 51.7224 45.4440 175.6573 107 P 3.8196 0.0000 0.0000 65.4473 31.0287 177.7572 108 F 4.6975 8.5561 112.7396 56.0121 39.6230 176.0738 109 G 3.8752 5.8673 108.9165 45.5084 0.0000 170.9159 110 W 5.2284 8.6805 119.3434 54.9343 31.9444 175.8161 111 I 4.9935 8.9140 123.6384 59.4507 41.0798 174.1095 112 L 5.1436 9.2214 128.1244 53.4384 44.5022 174.6294 113 A 5.3958 8.8132 128.8653 50.5549 21.2175 175.4836 114 F 5.5158 8.9426 116.6950 55.8915 42.1936 173.2906 115 R 5.4494 9.1265 117.4412 53.5064 33.5697 176.0398 116 D 3.3700 7.7246 120.6850 51.0219 41.6087 176.5477 117 A 3.7980 6.6564 120.6286 55.0699 18.1793 178.1367 118 D 4.5810 7.8055 113.1292 53.8258 41.0297 176.2326 119 N 4.1669 8.2639 116.1754 54.0120 38.3105 174.1599 120 I 2.0421 7.6409 118.3141 60.3480 37.7297 174.9870 121 A 4.2430 7.1298 126.9693 51.7386 19.2911 176.2841 122 L 5.0214 8.5293 122.2560 53.1839 46.2154 175.5752 123 E 5.2957 8.6316 118.2365 55.1386 34.5648 174.1486 124 A 5.6043 9.0090 122.7521 48.9840 23.5294 174.6720 *126 L 4.2654 8.2695 119.5659 55.0491 43.2690 176.8354 127 G 4.2521 8.9697 114.9321 45.6614 0.0000 172.1355 128 R 4.6800 8.5518 117.8827 57.6144 31.8504 175.7447 129 E 4.1707 8.1425 117.3801 57.7961 29.8311 177.0317 130 G 3.8655 9.1427 114.2935 45.5547 0.0000 171.7876 131 H 4.9738 7.7799 115.5201 54.3922 31.9328 173.2223 132 H 4.9623 8.1393 113.8443 56.1689 29.6645 175.8777 133 H 4.2414 8.4659 119.1562 58.4674 28.5717 175.9439 134 H 4.9711 8.4889 112.6197 55.8561 28.7950 174.7863 135 H 4.8915 7.9851 116.0337 56.1270 28.9349 174.3112 136 H 4.6051 8.0615 122.6091 55.9922 28.8507 174.5631 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 8.33 4.41 0.00 3.85 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 3 L 8.31 3.99 0.00 1.75 1.59 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.81 4.66 0.00 3.93 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 5 G 8.03 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 0.00 0.00 0.00 6 V 8.23 4.10 2.13 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 0.87 0.00 0.00 0.95 0.00 0.00 7 S 8.84 4.27 0.00 3.87 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 8 H 7.07 4.77 0.00 3.30 3.22 0.00 5.52 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 9 V 8.35 4.40 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 0.99 0.00 0.00 0.99 0.00 0.00 10 S 8.80 5.22 0.00 3.95 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 11 L 9.04 4.80 0.00 1.44 1.47 0.85 0.53 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 12 T 8.43 4.95 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 1.27 0.00 0.00 13 V 8.88 4.48 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 0.91 0.00 0.00 0.92 0.00 0.00 14 R 9.24 3.76 0.00 1.85 2.01 0.00 3.21 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 15 D 7.76 4.85 0.00 2.70 2.50 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 16 L 9.31 3.93 0.00 1.82 1.68 0.99 1.16 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 17 D 8.18 4.41 0.00 2.89 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 18 I 8.29 3.79 2.05 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 1.57 0.94 0.97 0.00 0.00 19 S 8.24 4.32 0.00 4.01 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.39 3.89 0.00 3.25 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 21 R 8.10 4.06 0.00 2.14 2.05 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 22 W 8.31 3.90 0.00 3.55 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 23 Y 8.86 3.90 0.00 2.79 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 24 T 8.34 4.72 4.53 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 1.33 0.00 0.00 25 E 8.07 3.82 0.00 1.93 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 2.10 2.23 0.00 26 I 7.20 3.55 0.60 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 -0.36 0.23 0.00 0.00 27 L 7.54 4.41 0.00 1.77 1.58 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.85 4.69 0.00 2.75 2.73 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 29 W 7.72 4.37 0.00 3.61 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 30 K 8.32 4.49 0.00 1.66 1.38 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.06 1.18 7.81 31 E 8.15 3.35 0.00 1.63 1.63 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 2.18 2.34 0.00 32 L 8.43 4.52 0.00 1.41 1.56 0.76 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 33 V 6.96 4.37 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 0.90 0.00 0.00 0.99 0.00 0.00 34 R 8.78 4.74 0.00 1.81 1.99 0.00 2.99 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 35 G 6.84 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.46 4.84 0.00 1.66 1.77 0.00 3.50 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 37 G 9.06 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.88 4.45 0.00 2.65 2.73 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 39 T 8.13 5.07 4.27 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 1.23 0.00 0.00 40 T 7.88 5.21 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 0.98 0.00 0.00 41 S 9.06 5.30 0.00 3.74 3.71 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 0.00 0.00 0.00 0.00 42 F 8.69 5.60 0.00 3.20 3.13 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 43 A 9.23 5.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 10.03 5.33 0.00 3.30 3.43 0.00 5.55 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 45 G 9.53 3.43 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 46 V 7.97 5.00 1.97 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 1.15 0.00 0.00 0.85 0.00 0.00 47 L 8.91 4.98 0.00 1.62 1.55 0.75 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.42 0.00 2.01 1.96 0.00 3.66 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 2.00 2.06 0.00 49 G 8.54 3.95 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 0.00 0.00 0.00 50 G 7.97 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 51 L 8.00 4.16 0.00 1.91 1.67 1.04 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.85 5.21 0.00 4.11 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 53 I 9.18 5.16 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.69 0.00 0.00 54 V 9.04 5.00 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 0.89 0.00 0.00 0.82 0.00 0.00 55 L 9.00 4.89 0.00 1.56 1.41 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 56 R 9.16 5.11 0.00 1.84 1.84 0.00 3.06 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.59 0.00 57 E 9.24 5.31 0.00 2.05 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 2.24 2.34 0.00 58 H 8.76 4.96 0.00 3.13 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 9.47 4.35 0.00 2.68 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 60 G 8.12 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 0.00 0.00 0.00 0.00 61 G 8.04 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 62 G 8.96 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 63 T 7.75 4.30 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 64 D 7.80 4.83 0.00 2.67 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 65 L 7.85 4.75 0.00 1.61 1.60 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.58 4.11 0.00 2.94 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 7.43 4.11 0.00 2.48 2.26 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 68 E 8.03 3.65 0.00 2.24 2.07 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 2.19 2.25 0.00 69 T 7.95 4.11 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 70 R 7.60 4.50 0.00 1.76 1.80 0.00 3.28 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 71 P 0.00 4.30 0.00 2.00 1.97 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 72 G 8.12 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 73 L 8.40 4.25 0.00 1.65 1.76 0.89 1.06 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 74 D 8.73 4.60 0.00 2.67 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 75 H 7.28 4.79 0.00 3.13 3.21 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.30 4.49 0.00 1.61 1.25 0.77 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.44 5.02 0.00 4.00 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 78 F 9.17 5.06 0.00 3.12 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 79 S 8.81 4.79 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.14 4.62 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 0.83 0.00 0.00 0.97 0.00 0.00 81 E 8.85 4.43 0.00 2.05 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 2.31 2.30 0.00 82 S 7.99 4.40 0.00 3.88 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 *84 T 8.88 4.36 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 85 D 7.86 4.30 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 86 L 7.72 3.97 0.00 1.62 1.70 0.99 1.16 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 87 D 7.85 4.27 0.00 2.77 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 88 V 7.94 3.69 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 1.13 0.00 0.00 0.91 0.00 0.00 89 L 7.72 3.66 0.00 1.70 1.28 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.05 3.33 0.00 2.05 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 2.26 2.43 0.00 91 E 7.88 3.86 0.00 2.09 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 2.27 2.51 0.00 92 R 7.87 3.82 0.00 1.68 1.68 0.00 2.91 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 93 L 7.83 3.71 0.00 0.59 1.17 0.19 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.80 4.25 1.50 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 95 K 7.98 3.77 0.00 1.93 1.80 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.44 7.81 96 A 8.12 4.31 1.26 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 97 G 8.15 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 98 A 8.29 4.64 1.62 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 0.00 0.00 99 A 8.59 4.65 1.33 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 0.00 0.00 0.00 100 F 8.14 5.28 0.00 3.28 3.15 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 0.00 101 T 8.66 4.62 4.29 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 1.21 0.00 0.00 102 P 0.00 4.72 0.00 2.13 2.13 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 103 T 8.43 4.25 4.37 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 1.42 0.00 0.00 104 Q 9.45 4.70 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 105 E 8.82 4.16 0.00 2.14 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 1.95 1.53 0.00 106 L 8.36 4.72 0.00 1.66 1.43 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 3.82 0.00 1.50 1.63 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 108 F 8.56 4.70 0.00 3.03 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 0.00 109 G 5.87 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 0.00 110 W 8.68 5.23 0.00 3.27 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.91 4.99 1.95 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 1.21 0.74 1.04 0.00 0.00 112 L 9.22 5.14 0.00 1.85 1.68 1.13 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.81 5.40 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 0.00 114 F 8.94 5.52 0.00 3.46 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 0.00 115 R 9.13 5.45 0.00 1.68 1.69 0.00 3.32 0.00 0.00 3.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 116 D 7.72 3.37 0.00 1.58 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 0.00 0.00 0.00 117 A 6.66 3.80 1.10 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 0.00 0.00 118 D 7.81 4.58 0.00 2.65 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 0.00 119 N 8.26 4.17 0.00 2.81 2.97 0.00 0.00 7.10 7.62 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 0.00 120 I 7.64 2.04 1.75 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.74 0.47 0.00 0.00 121 A 7.13 4.24 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.53 5.02 0.00 0.27 0.98 1.09 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.63 5.30 0.00 1.85 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 2.15 2.11 0.00 124 A 9.01 5.60 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *126 L 8.27 4.27 0.00 1.87 1.86 0.78 0.40 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 0.00 127 G 8.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.55 4.68 0.00 1.73 1.86 0.00 2.77 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 129 E 8.14 4.17 0.00 2.08 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 2.37 2.42 0.00 130 G 9.14 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.78 4.97 0.00 3.34 2.99 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.14 4.96 0.00 3.12 3.17 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 H 8.47 4.24 0.00 2.98 2.87 0.00 5.68 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 0.00 134 H 8.49 4.97 0.00 3.49 3.95 0.00 5.49 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 7.99 4.89 0.00 3.19 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 H 8.06 4.61 0.00 3.13 3.15 0.00 5.73 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.