NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3022 8.1329 117.3744 63.2724 70.9121 176.1921 6 Q 4.1241 8.0418 123.3704 59.3935 28.3598 182.5752 7 S 4.3531 8.0837 120.3306 63.1940 62.8213 178.0217 8 L 4.2121 7.8443 123.7620 57.7732 41.8193 178.8080 9 R 3.9143 7.6522 117.6185 59.3323 29.7305 178.4309 10 E 3.9504 7.7874 117.8927 59.0835 29.7496 179.0290 11 V 3.7319 7.5860 117.9932 66.3757 31.3957 177.6310 12 I 3.6876 8.0618 120.7062 65.1318 37.0480 178.6853 13 K 4.0423 8.3042 124.4048 59.7538 31.1935 180.4045 14 A 4.5051 7.8652 124.3693 52.8518 16.4297 179.4631 *16 T 3.9828 7.8060 116.3555 61.1304 71.2334 177.4214 17 K 4.5102 7.8774 118.3960 55.3996 34.7194 182.1019 18 A 4.0489 7.2885 122.0305 53.8624 18.6710 178.4219 19 R 4.1803 8.5121 119.5205 58.2896 30.3262 175.9628 20 N 4.7576 7.8310 114.4627 52.3607 38.3610 175.0065 21 F 4.1779 8.8446 118.3355 61.3596 39.2493 176.6871 22 E 4.0312 8.5870 118.4329 58.7998 29.1363 179.0832 23 R 3.9131 7.8547 116.5880 59.2825 29.0641 178.6828 24 V 3.7021 7.3742 110.8338 62.4989 31.7701 177.0004 25 L 4.5588 7.8382 118.5310 54.1071 42.1344 178.0969 26 G 4.1475 7.5856 108.5424 48.3278 0.0000 174.5067 27 K 4.3478 7.9163 116.7521 56.2122 32.4945 176.6018 28 I 4.3388 7.9412 113.8849 60.2663 38.8956 175.0970 29 T 4.7222 8.7316 112.0170 59.8760 71.9787 172.3729 30 L 4.6642 8.4155 124.7663 54.4800 43.0878 175.1686 31 V 4.3761 8.7217 125.4178 64.0643 32.9279 175.6276 32 S 4.8344 7.7155 113.0784 56.8685 66.6200 172.1459 33 A 5.0929 8.4801 122.2732 50.4580 21.5984 175.3740 34 A 4.6145 9.1919 124.7168 49.3376 22.7684 173.1525 35 P 5.0661 0.0000 0.0000 63.6002 31.4529 177.0482 36 G 4.0004 9.1495 110.5365 45.5579 0.0000 171.9619 37 K 5.0335 8.3276 121.3948 54.7901 35.8141 175.0817 38 V 4.9068 8.8887 126.9368 61.1285 35.0519 173.9531 39 I 4.9773 8.7117 127.8959 59.8137 40.0575 174.4543 40 C 5.3242 9.0752 123.1738 58.1941 33.0835 172.5780 41 E 5.8831 8.8587 119.2447 53.4034 34.1165 174.3623 *43 K 4.3671 8.4363 120.4042 56.3416 33.2395 175.4639 44 V 3.7933 8.6740 127.8729 63.6591 32.0917 175.4297 45 E 4.4289 8.4564 129.0331 54.7953 31.7945 176.9257 46 E 3.9529 8.5565 119.2265 59.4195 29.7643 178.5433 47 E 4.0326 8.0905 115.1750 58.4874 29.7861 176.8336 48 H 4.8169 7.9294 116.5028 55.7721 29.4957 174.3969 49 T 5.0176 7.7409 110.5983 60.0930 71.1774 174.6634 50 N 4.9041 8.5419 123.0089 52.8553 37.6986 175.8526 51 A 4.1804 8.6376 117.9954 54.5299 19.0677 178.1111 52 I 4.1829 7.8719 107.3560 60.7643 37.7431 176.8513 53 G 3.8837 8.3188 107.8875 46.2333 0.0000 173.6507 54 T 4.6360 7.8066 110.3412 59.2250 71.9862 173.6871 55 L 4.3972 8.3092 124.1962 55.8745 42.5531 176.3396 56 H 4.1434 9.1989 127.0822 56.1105 30.6037 176.5093 57 G 3.7822 8.8533 111.8946 47.9676 0.0000 176.0774 58 G 3.7936 8.5138 107.2299 47.2130 0.0000 175.4691 59 L 4.1276 7.8890 122.2980 58.0780 42.1714 178.7891 60 T 3.8747 8.0645 115.5747 66.7244 68.4693 176.3748 61 A 4.0199 8.1774 122.5593 55.5747 18.3162 179.8606 62 T 4.0050 7.9519 114.2705 66.4625 68.5060 177.1891 63 L 3.9315 8.1398 121.2586 57.8578 41.8493 179.3533 64 V 3.5387 7.8935 118.2746 66.2072 31.1872 177.5821 65 D 4.1025 8.0266 117.3333 57.5125 40.9315 178.0448 66 N 4.3898 8.0462 115.5481 56.4046 38.7107 177.4314 67 I 3.8929 8.2147 120.2739 63.9028 37.2951 178.1346 68 S 4.3037 7.9407 114.1156 61.2853 62.3245 176.8483 69 T 4.1066 7.6682 118.9375 63.3797 67.4554 176.1915 *71 A 4.2982 8.1031 126.0647 52.2242 21.0336 179.9860 72 L 4.0622 7.6536 116.1156 57.8122 41.8644 179.5482 73 L 4.0586 7.9464 117.5587 57.5600 41.8340 177.4743 74 C 4.5508 7.9843 115.7641 59.6906 28.0980 172.9268 75 T 4.8118 7.2945 109.6886 59.3504 70.7824 174.0549 76 E 4.0386 8.9476 122.8248 59.6124 29.7897 178.4205 77 R 3.8788 8.1903 118.2222 57.5049 30.3322 177.4217 78 G 3.8749 7.8585 102.8570 45.9949 0.0000 172.8766 79 A 4.2217 7.3902 121.8904 50.8310 19.0747 177.0187 80 P 4.2097 0.0000 0.0000 64.5648 31.9044 177.7049 81 G 3.9945 7.9574 104.1702 44.7028 0.0000 172.1484 82 V 4.4306 7.8537 118.7383 60.5701 33.9833 175.2971 83 S 4.3550 8.7518 123.1554 59.4791 62.8582 173.0946 84 V 4.2204 8.6049 122.9996 64.3019 33.2630 174.6866 85 D 4.8560 7.4843 117.2707 52.7210 45.9616 173.2308 *87 N 4.7853 8.5281 115.0580 53.3162 38.8040 173.5759 88 I 4.8993 8.3120 121.3518 59.7640 41.2709 174.6530 89 T 4.5515 8.8896 122.7198 62.0908 70.9305 173.1754 90 Y 4.8643 8.7221 124.0863 56.4776 40.3434 175.2660 *92 S 4.3271 8.3050 114.8982 57.7166 64.6950 171.6815 93 P 4.5859 0.0000 0.0000 62.5430 32.6287 175.7151 94 A 4.8768 8.4160 123.3161 49.9392 21.3121 176.4858 95 K 4.4105 8.9229 121.6962 56.4833 33.6823 176.7584 96 L 4.1163 8.2944 121.6372 56.4847 42.3088 177.7781 97 G 3.9213 8.8870 110.9885 45.8995 0.0000 173.6108 98 E 4.3167 7.7818 121.0011 55.8845 31.4298 174.7638 99 D 5.2429 8.6060 125.0397 52.8857 43.1413 175.4235 100 I 5.0076 8.3330 115.8858 59.0546 41.3692 174.1291 101 V 4.6893 8.9832 123.7849 61.3323 34.1102 174.4482 102 I 4.6931 9.4121 130.0918 60.1575 39.0559 174.3088 103 T 4.8956 8.8804 125.1247 61.7404 70.3572 173.8338 104 A 5.1691 8.8014 128.5503 50.3808 22.3265 174.5379 105 H 5.4138 8.9000 117.4667 53.9110 33.6344 172.8704 106 V 4.1413 8.7340 122.8297 62.8578 31.3284 176.0712 107 L 4.2808 9.2043 129.2375 56.5677 42.3997 177.6526 108 K 4.4308 7.6320 118.7647 56.2423 34.5773 172.9431 109 Q 5.1046 8.6836 121.4467 54.6230 32.1775 175.0461 110 G 4.3483 8.7070 113.1260 45.7556 0.0000 174.8664 111 K 4.2185 8.8610 121.4002 57.1139 32.1745 174.6043 112 T 4.7445 7.8640 105.8877 60.6380 71.1844 173.6602 113 L 5.1132 7.9476 122.2310 52.7795 45.2349 175.1127 114 A 5.0284 8.6850 125.6610 49.9833 22.2625 174.9708 115 F 5.2878 9.4616 119.1590 56.0177 42.7846 174.3219 116 T 5.1598 9.1624 116.2974 60.5896 71.7759 172.2155 117 S 5.0916 8.9841 119.7174 56.4970 65.8342 172.6932 118 V 4.9075 9.1202 127.0771 61.2229 34.4226 173.5478 119 D 5.3607 9.3032 128.1622 52.6532 43.2509 175.2186 120 L 5.2165 8.9863 124.3671 53.5981 43.9609 175.8249 121 T 5.0892 8.7738 112.3716 59.6798 72.9943 172.4949 122 N 4.7158 8.9301 122.6580 53.6468 39.4409 175.1814 123 K 3.9092 9.3158 128.9991 60.0152 32.0987 177.9203 124 A 4.1557 8.3232 120.7568 55.5630 18.5359 178.5806 125 T 4.0615 8.5817 111.3717 64.3705 68.8911 176.6440 126 G 3.9276 8.9627 110.8854 45.3800 0.0000 174.2482 127 K 4.2312 7.5904 123.4491 54.7426 33.1202 181.1286 128 L 4.2580 8.4779 126.0475 55.2890 42.1406 176.2718 129 I 4.4481 8.9598 127.1810 62.2951 38.4764 175.9066 130 A 4.6190 7.3478 119.9052 51.1498 22.5412 174.8456 131 Q 4.8603 8.6901 120.8149 54.3013 32.6993 174.3540 132 G 4.4760 9.5926 115.1323 45.1512 0.0000 172.0432 133 R 5.3031 9.0242 122.0052 54.9504 32.7699 175.2837 134 H 5.1634 9.4082 122.9796 54.0207 33.3574 171.9671 135 T 4.7911 8.8251 122.4834 61.7552 70.7639 173.6536 136 K 4.8908 8.7444 125.5233 54.6917 36.6818 174.5204 137 H 5.1982 9.0164 123.3991 54.6918 31.5975 174.7655 138 L 4.2566 9.0079 126.0794 54.8749 41.2401 176.6779 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 5 T 8.13 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 6 Q 8.04 4.12 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.05 0.00 7 S 8.08 4.35 0.00 3.73 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.84 4.21 0.00 1.74 1.68 0.92 0.86 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 9 R 7.65 3.91 0.00 2.15 2.09 0.00 3.14 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 10 E 7.79 3.95 0.00 2.10 1.99 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 2.34 2.52 0.00 11 V 7.59 3.73 2.23 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 1.03 0.00 0.00 0.98 0.00 0.00 12 I 8.06 3.69 2.04 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 1.37 0.80 0.90 0.00 0.00 13 K 8.30 4.04 0.00 1.84 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.41 1.38 7.81 14 A 7.87 4.51 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 *16 T 7.81 3.98 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 17 K 7.88 4.51 0.00 1.72 1.69 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.96 7.81 18 A 7.29 4.05 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 19 R 8.51 4.18 0.00 1.84 1.85 0.00 3.28 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 20 N 7.83 4.76 0.00 3.01 3.07 0.00 0.00 5.91 8.12 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 21 F 8.84 4.18 0.00 3.13 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 22 E 8.59 4.03 0.00 2.09 1.99 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 2.53 2.46 0.00 23 R 7.85 3.91 0.00 2.07 2.42 0.00 2.73 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 24 V 7.37 3.70 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 0.16 0.00 0.00 0.40 0.00 0.00 25 L 7.84 4.56 0.00 1.74 1.62 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.59 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 27 K 7.92 4.35 0.00 1.83 1.90 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.38 7.81 28 I 7.94 4.34 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.53 0.92 0.00 0.00 29 T 8.73 4.72 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 30 L 8.42 4.66 0.00 1.65 1.58 0.99 0.93 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 31 V 8.72 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 32 S 7.72 4.83 0.00 3.88 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 33 A 8.48 5.09 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.19 4.61 1.21 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 0.00 0.00 35 P 0.00 5.07 0.00 2.06 2.05 0.00 3.86 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 36 G 9.15 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 37 K 8.33 5.03 0.00 1.82 1.62 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.52 7.81 38 V 8.89 4.91 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 0.98 0.00 0.00 0.95 0.00 0.00 39 I 8.71 4.98 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 0.90 0.00 0.00 40 C 9.08 5.32 0.00 2.81 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 41 E 8.86 5.88 0.00 1.84 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 2.05 0.00 *43 K 8.44 4.37 0.00 1.80 1.79 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.46 7.81 44 V 8.67 3.79 2.22 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 0.96 0.00 0.00 1.00 0.00 0.00 45 E 8.46 4.43 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 2.53 2.15 0.00 46 E 8.56 3.95 0.00 1.98 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 2.36 2.29 0.00 47 E 8.09 4.03 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 48 H 7.93 4.82 0.00 3.33 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.74 5.02 4.23 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 1.30 0.00 0.00 50 N 8.54 4.90 0.00 2.72 2.65 0.00 0.00 6.93 6.81 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 51 A 8.64 4.18 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 52 I 7.87 4.18 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.89 0.00 0.00 53 G 8.32 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 54 T 7.81 4.64 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 55 L 8.31 4.40 0.00 1.71 1.70 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 56 H 9.20 4.14 0.00 3.26 3.18 0.00 5.84 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 57 G 8.85 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 0.00 0.00 0.00 58 G 8.51 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 59 L 7.89 4.13 0.00 1.81 1.89 0.86 0.84 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 60 T 8.06 3.87 4.71 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 1.20 0.00 0.00 61 A 8.18 4.02 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 62 T 7.95 4.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 63 L 8.14 3.93 0.00 1.86 1.70 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 V 7.89 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.92 0.00 0.00 65 D 8.03 4.10 0.00 2.89 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 66 N 8.05 4.39 0.00 2.86 2.86 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.21 3.89 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.89 0.00 0.00 68 S 7.94 4.30 0.00 3.95 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 69 T 7.67 4.11 4.40 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 1.22 0.00 0.00 *71 A 8.10 4.30 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 72 L 7.65 4.06 0.00 1.86 1.83 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.95 4.06 0.00 1.64 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 74 C 7.98 4.55 0.00 3.12 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 75 T 7.29 4.81 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 1.29 0.00 0.00 76 E 8.95 4.04 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 77 R 8.19 3.88 0.00 1.88 1.90 0.00 3.38 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 78 G 7.86 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 79 A 7.39 4.22 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 80 P 0.00 4.21 0.00 2.19 2.18 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 81 G 7.96 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 0.00 0.00 0.00 82 V 7.85 4.43 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 1.03 0.00 0.00 0.92 0.00 0.00 83 S 8.75 4.35 0.00 3.83 3.86 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 84 V 8.60 4.22 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 0.74 0.00 0.00 0.94 0.00 0.00 85 D 7.48 4.86 0.00 2.60 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 *87 N 8.53 4.79 0.00 2.88 3.01 0.00 0.00 5.72 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 88 I 8.31 4.90 1.74 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.02 0.00 0.00 89 T 8.89 4.55 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 1.22 0.00 0.00 90 Y 8.72 4.86 0.00 2.81 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 *92 S 8.31 4.33 0.00 3.94 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 93 P 0.00 4.59 0.00 1.97 2.03 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 94 A 8.42 4.88 1.25 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 95 K 8.92 4.41 0.00 1.98 1.96 0.00 1.34 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.66 1.38 7.81 96 L 8.29 4.12 0.00 1.61 1.63 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.89 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 98 E 7.78 4.32 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 2.30 0.00 99 D 8.61 5.24 0.00 2.64 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 0.00 100 I 8.33 5.01 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.75 0.92 0.00 0.00 101 V 8.98 4.69 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.93 0.00 0.00 102 I 9.41 4.69 1.85 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 0.41 0.89 0.00 0.00 103 T 8.88 4.90 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 1.11 0.00 0.00 104 A 8.80 5.17 1.17 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 0.00 0.00 0.00 105 H 8.90 5.41 0.00 3.10 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 8.73 4.14 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 0.84 0.00 0.00 0.98 0.00 0.00 107 L 9.20 4.28 0.00 1.76 1.74 0.96 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 0.00 108 K 7.63 4.43 0.00 1.86 1.67 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.56 7.81 109 Q 8.68 5.10 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 110 G 8.71 4.35 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 0.00 111 K 8.86 4.22 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.99 7.81 112 T 7.86 4.74 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 113 L 7.95 5.11 0.00 1.62 1.25 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.69 5.03 1.09 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 0.00 0.00 115 F 9.46 5.29 0.00 2.98 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 0.00 116 T 9.16 5.16 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 1.38 0.00 0.00 117 S 8.98 5.09 0.00 3.95 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.12 4.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 119 D 9.30 5.36 0.00 2.66 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 0.00 120 L 8.99 5.22 0.00 1.54 1.57 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.77 5.09 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 1.26 0.00 0.00 122 N 8.93 4.72 0.00 2.87 2.75 0.00 0.00 7.03 6.28 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 0.00 123 K 9.32 3.91 0.00 1.76 1.89 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.42 7.81 124 A 8.32 4.16 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.58 4.06 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 1.22 0.00 0.00 126 G 8.96 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 0.00 0.00 0.00 127 K 7.59 4.23 0.00 1.46 1.70 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.44 1.01 7.81 128 L 8.48 4.26 0.00 1.63 1.61 0.92 1.02 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 0.00 129 I 8.96 4.45 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.64 0.96 0.00 0.00 130 A 7.35 4.62 1.04 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 0.00 0.00 131 Q 8.69 4.86 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 132 G 9.59 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.02 5.30 0.00 1.56 1.67 0.00 3.21 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 134 H 9.41 5.16 0.00 3.16 3.15 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.83 4.79 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 1.02 0.00 0.00 136 K 8.74 4.89 0.00 1.47 1.63 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.98 1.10 7.81 137 H 9.02 5.20 0.00 3.13 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 9.01 4.26 0.00 1.45 1.49 0.91 -0.14 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 * Residues marked with a * may have inaccurate shift predictions.