NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8509 8.2833 119.1870 53.0182 40.2954 175.0043 2 L 4.0678 9.0952 126.4533 57.8425 41.1108 178.4247 3 L 4.0909 9.4623 120.7608 57.7992 41.9178 179.1514 4 Q 4.0926 8.2685 118.2375 58.3015 28.6167 178.1533 5 F 4.4553 8.1434 121.3663 61.5974 39.5699 176.4928 6 N 4.1045 8.5867 116.5236 56.3403 38.1031 177.2399 7 K 3.9850 7.4874 119.0293 59.8695 32.5753 178.4528 8 M 4.2981 8.1363 118.9375 58.4813 31.8780 178.8841 9 I 3.6828 8.0896 120.3258 64.2486 37.2627 178.4106 10 K 4.9067 8.0773 121.8534 58.8673 31.7450 178.0679 *12 E 4.3052 7.9336 117.9546 56.1625 31.3064 176.3864 13 E 4.1658 8.6138 117.7646 58.5263 29.6991 177.5921 14 T 4.3172 8.4381 106.6653 60.6281 70.1101 175.6077 15 G 3.9410 8.0585 110.4146 45.4811 0.0000 173.9209 16 K 4.1130 7.4860 119.1396 55.1288 33.5132 175.0173 17 N 5.0670 8.3197 117.0933 51.7704 40.0929 175.4563 18 A 4.2162 8.8139 125.3667 54.7363 18.6215 177.4226 19 I 4.7032 7.6869 115.7118 59.1785 38.9726 173.7733 20 P 4.7789 0.0000 0.0000 63.0392 32.3505 177.3812 21 F 4.0292 7.6757 117.5350 60.5229 38.7717 175.5257 22 Y 4.5714 8.2482 113.8330 57.1844 39.5686 175.8678 23 A 3.9853 7.8082 123.6484 53.5145 19.7610 177.9888 24 F 5.2263 7.4339 114.4663 56.8454 40.2824 173.0805 25 Y 4.9813 8.3824 122.6488 56.5790 42.2599 175.9902 26 G 3.2868 7.4926 114.3440 46.9969 0.0000 173.2991 27 C 4.5382 8.8632 114.4063 57.5336 37.1368 174.4107 28 Y 4.2646 8.6888 115.2074 57.5730 39.6532 174.5636 29 C 4.8177 8.9264 118.4166 59.0781 39.4659 173.3527 30 G 4.2989 8.4937 110.8194 43.3009 0.0000 170.7351 31 W 4.2144 8.3637 130.6136 59.8603 30.8638 175.6729 32 G 3.5319 7.3705 115.4650 45.0005 0.0000 170.7247 33 G 4.2645 7.7212 107.3523 43.6668 0.0000 171.8152 34 Q 4.4731 6.3371 117.9231 56.8479 31.2365 174.7262 35 G 4.0223 8.4407 104.4436 44.8926 0.0000 172.3206 36 K 4.9074 8.7905 120.6927 53.4719 34.9375 174.3837 37 P 4.5330 0.0000 0.0000 63.1154 31.7739 176.6395 38 K 3.9516 9.4684 123.9305 59.0043 32.5034 176.2265 39 D 4.5287 7.2830 116.5845 51.5978 41.7532 175.1238 40 G 3.7859 8.8870 105.2458 48.4192 0.0000 175.5919 41 T 4.0385 8.0361 118.5067 66.4406 68.5658 175.9462 42 D 4.5806 9.0752 120.1353 57.4486 41.2078 178.3103 43 R 3.9593 8.1601 119.1938 59.2600 29.9906 177.8058 44 C 4.2792 8.1706 116.5876 60.2643 40.4698 175.4489 45 C 4.3892 8.1447 116.6545 59.9057 35.5683 175.7802 46 F 3.8503 8.2006 122.1613 61.3780 38.8483 177.4088 47 V 3.3276 8.0057 117.7451 65.9215 31.2778 177.3343 48 H 3.8240 7.9711 118.0629 59.2539 29.5913 176.7834 49 D 4.1943 7.8866 120.4123 57.7576 40.4776 178.2577 50 C 4.0008 7.3763 115.2117 59.9196 34.7261 175.1475 51 C 4.2881 8.2421 120.3763 60.0569 39.0476 175.2920 52 Y 4.2337 8.4474 118.7398 61.0806 37.2092 178.6743 53 G 3.9397 8.4267 106.1629 48.0239 0.0000 175.0274 54 R 4.2091 7.6241 116.7580 56.5640 31.2463 176.8091 55 L 4.6649 7.9310 120.3270 53.2644 41.8461 177.2556 56 V 3.5416 7.6957 114.7508 64.7962 32.4029 178.4722 *59 N 5.0875 7.9332 114.1198 52.8006 38.7835 174.2048 *61 C 5.1187 7.7293 114.4140 57.7980 42.9549 172.4934 *67 N 5.4931 8.3893 119.1468 53.4831 38.5857 174.8277 68 T 3.5782 7.7433 110.7738 63.4009 69.5726 176.4596 69 K 4.3860 8.2978 121.6982 58.2262 32.7921 178.2221 70 S 4.6987 7.8322 109.8170 58.1456 64.2480 173.6308 71 D 4.2854 8.0081 121.3922 54.5393 40.9801 175.6182 72 I 4.0353 8.2866 128.3794 60.9165 37.7980 174.8161 73 Y 4.8809 7.7952 122.9564 55.0406 40.7757 174.1857 74 S 5.0900 8.7732 113.9359 56.8295 64.5655 172.3632 75 Y 5.5572 8.6517 124.1197 56.2072 41.5086 173.6557 76 S 4.1226 9.2289 113.3113 57.6057 66.9521 174.1811 77 L 4.8382 8.3946 121.4449 53.6990 41.3873 176.0684 78 K 4.1707 9.0951 124.1213 55.4262 31.9173 176.6600 79 E 3.5845 8.9554 127.4297 57.5333 26.9572 174.4204 80 G 4.0266 8.2755 101.3223 46.4028 0.0000 172.0151 81 Y 4.5967 7.3514 115.5099 55.4898 41.0357 175.1701 82 I 4.4352 8.6761 125.4852 61.8700 37.9570 175.5225 83 T 4.7587 9.5623 124.2613 61.8415 72.0442 172.5216 84 C 4.9432 8.8611 123.3132 56.1161 41.3135 174.1076 85 G 4.1983 9.3927 112.7554 44.6706 0.0000 172.8193 86 K 4.2554 8.4700 120.7184 55.7299 33.7013 175.9144 *88 G 4.3758 8.2059 112.7438 45.5165 0.0000 173.1647 89 T 4.2528 8.7905 114.0752 60.8354 71.1810 175.1062 90 N 4.1761 8.7379 120.2190 57.4092 38.6860 177.6779 91 C 4.2327 8.0748 116.8566 60.0128 39.2908 175.6405 92 E 4.0195 8.0323 119.8726 59.5718 29.2439 179.2266 93 E 3.8685 8.4405 118.7165 59.5577 29.5597 179.6064 94 Q 3.8887 8.2452 118.0622 59.1669 28.8667 178.9206 95 I 3.6460 7.8465 120.9886 64.4503 36.9597 177.7314 96 C 3.1617 7.7364 119.3867 59.0533 42.4901 175.2333 97 E 3.6325 7.6857 120.5376 59.3231 29.2102 178.2028 98 C 4.1577 8.0444 116.5536 59.9595 41.4404 175.8255 99 D 3.3700 7.8037 120.3087 57.3186 40.4345 178.2831 100 R 3.7778 8.3661 119.7064 59.4886 29.9748 178.1597 101 V 3.4592 7.8721 117.2234 66.2117 31.5373 178.1691 102 A 3.5659 7.7989 119.7176 55.0184 18.0650 179.3726 103 A 3.8872 8.0184 119.2894 55.3986 18.4085 179.7945 104 E 4.1352 8.0719 116.9652 59.5044 29.3480 178.3876 105 C 4.1238 7.8425 117.5992 59.8437 38.2467 175.3893 106 F 4.6433 7.7866 119.0816 60.6579 38.4652 177.5919 107 R 3.9183 7.6278 116.7739 59.6851 29.7466 178.8073 108 R 4.0500 8.0194 116.1366 58.4276 30.0887 177.7495 109 N 4.9656 7.6866 114.4219 53.0612 39.1238 176.4921 110 L 4.1870 8.0905 124.0606 57.7533 41.3620 179.0811 111 D 4.4089 8.2073 117.8568 56.2469 39.3853 177.1127 112 T 4.4437 7.6070 107.2234 60.9177 69.0502 173.9440 113 Y 3.9076 7.7048 123.5460 58.3553 39.2109 174.9441 114 N 5.0113 8.5706 125.4283 51.6348 40.5457 174.7852 115 N 4.7014 9.0615 123.9179 55.8585 38.8642 176.7389 116 G 3.8294 8.2378 105.7240 46.5618 0.0000 173.7772 117 Y 4.6267 7.6486 117.6052 58.5768 38.8775 175.7510 118 M 4.4670 7.4352 119.7119 56.5620 32.7929 175.3550 119 F 3.8123 8.7887 122.8751 58.5819 37.2875 175.3078 120 Y 4.3049 8.1537 121.3489 56.4637 38.9883 174.8981 121 R 3.9604 8.4992 126.3936 56.9036 30.8330 177.3460 122 D 4.4351 8.7887 121.4917 56.6633 41.6257 177.7413 *124 S 4.4605 7.9272 111.9578 58.4637 64.6779 174.5472 125 K 4.3361 7.9231 117.8574 56.8541 32.0330 176.5473 126 C 4.8769 7.6793 116.8820 56.5929 40.0832 175.7475 127 T 4.3346 7.5472 117.4194 62.9622 67.8637 174.4203 128 E 4.7522 7.9340 122.6565 55.5213 31.5240 175.8778 129 T 3.9516 8.6100 116.8876 63.8180 68.6588 174.6506 130 S 5.1589 8.5913 122.8951 58.2010 63.4634 174.1450 131 E 4.2447 8.9548 124.5505 56.4844 30.4571 175.3035 132 E 4.7872 8.5354 121.7872 54.7084 31.7699 177.1980 133 C 4.3823 8.6427 118.7855 57.3910 41.3895 173.7282 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 N 8.28 4.85 0.00 2.72 2.71 0.00 0.00 7.06 5.78 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 2 L 9.10 4.07 0.00 1.82 1.87 1.10 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.46 4.09 0.00 2.07 1.73 0.94 0.94 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 4 Q 8.27 4.09 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 5 F 8.14 4.46 0.00 3.32 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 6 N 8.59 4.10 0.00 3.03 2.87 0.00 0.00 6.72 7.15 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 7 K 7.49 3.98 0.00 1.97 2.12 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.65 7.81 8 M 8.14 4.30 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 9 I 8.09 3.68 1.81 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.36 0.69 0.00 0.00 10 K 8.08 4.91 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.47 7.81 *12 E 7.93 4.31 0.00 2.15 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 0.00 2.24 2.41 0.00 13 E 8.61 4.17 0.00 2.10 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 2.46 2.39 0.00 14 T 8.44 4.32 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 1.21 0.00 0.00 15 G 8.06 3.94 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 0.00 0.00 0.00 0.00 16 K 7.49 4.11 0.00 1.67 0.90 0.00 1.36 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.58 1.20 7.81 17 N 8.32 5.07 0.00 3.00 2.96 0.00 0.00 6.83 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 18 A 8.81 4.22 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 19 I 7.69 4.70 1.92 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 1.51 0.61 1.01 0.00 0.00 20 P 0.00 4.78 0.00 2.20 2.45 0.00 3.00 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 1.49 1.82 0.00 21 F 7.68 4.03 0.00 3.05 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 22 Y 8.25 4.57 0.00 2.80 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 23 A 7.81 3.99 0.48 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 24 F 7.43 5.23 0.00 2.55 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 25 Y 8.38 4.98 0.00 2.90 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 26 G 7.49 3.29 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 0.00 27 C 8.86 4.54 0.00 3.11 3.02 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 28 Y 8.69 4.26 0.00 3.28 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 29 C 8.93 4.82 0.00 3.32 3.37 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 30 G 8.49 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 0.00 0.00 0.00 0.00 31 W 8.36 4.21 0.00 3.37 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 32 G 7.37 3.53 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 0.00 0.00 0.00 33 G 7.72 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 0.00 0.00 0.00 34 Q 6.34 4.47 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 35 G 8.44 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 36 K 8.79 4.91 0.00 1.64 1.60 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.50 7.81 37 P 0.00 4.53 0.00 1.83 1.97 0.00 3.34 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.35 0.00 38 K 9.47 3.95 0.00 0.92 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 3.10 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.81 7.81 39 D 7.28 4.53 0.00 2.83 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 40 G 8.89 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 41 T 8.04 4.04 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 0.71 0.00 0.00 42 D 9.08 4.58 0.00 2.90 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 43 R 8.16 3.96 0.00 1.97 2.09 0.00 3.12 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 44 C 8.17 4.28 0.00 3.50 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 45 C 8.14 4.39 0.00 3.44 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 3.85 0.00 2.52 3.02 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 47 V 8.01 3.33 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 0.89 0.00 0.00 1.04 0.00 0.00 48 H 7.97 3.82 0.00 3.22 3.31 0.00 5.65 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 D 7.89 4.19 0.00 2.84 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.38 4.00 0.00 2.85 2.94 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 0.00 51 C 8.24 4.29 0.00 2.96 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 52 Y 8.45 4.23 0.00 2.99 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 53 G 8.43 3.94 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 0.00 0.00 0.00 0.00 54 R 7.62 4.21 0.00 1.90 1.95 0.00 3.09 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 55 L 7.93 4.66 0.00 1.59 1.52 0.87 0.80 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 56 V 7.70 3.54 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 0.89 0.00 0.00 0.98 0.00 0.00 *59 N 7.93 5.09 0.00 2.88 3.06 0.00 0.00 6.71 7.68 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 *61 C 7.73 5.12 0.00 3.02 3.02 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 *67 N 8.39 5.49 0.00 2.73 2.75 0.00 0.00 7.42 7.22 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 68 T 7.74 3.58 2.69 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 0.85 0.00 0.00 69 K 8.30 4.39 0.00 1.92 1.97 0.00 1.74 0.00 0.00 2.35 0.00 0.00 2.93 0.00 0.00 3.55 0.00 0.00 0.00 0.00 1.81 1.69 7.81 70 S 7.83 4.70 0.00 3.99 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 71 D 8.01 4.29 0.00 2.80 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 72 I 8.29 4.04 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.89 0.86 0.00 0.00 73 Y 7.80 4.88 0.00 3.03 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 74 S 8.77 5.09 0.00 3.97 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 75 Y 8.65 5.56 0.00 3.26 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 9.23 4.12 0.00 3.70 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 77 L 8.39 4.84 0.00 1.55 1.71 1.04 0.93 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 78 K 9.10 4.17 0.00 1.85 1.81 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.37 7.81 79 E 8.96 3.58 0.00 2.17 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 0.00 2.22 2.28 0.00 80 G 8.28 4.03 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 0.00 0.00 0.00 81 Y 7.35 4.60 0.00 3.20 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 82 I 8.68 4.44 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.54 1.11 0.00 0.00 83 T 9.56 4.76 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 1.23 0.00 0.00 84 C 8.86 4.94 0.00 2.82 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 85 G 9.39 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 0.00 0.00 0.00 0.00 86 K 8.47 4.26 0.00 1.81 1.68 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.60 7.81 *88 G 8.21 4.38 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 89 T 8.79 4.25 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 1.26 0.00 0.00 90 N 8.74 4.18 0.00 2.75 2.86 0.00 0.00 6.92 7.65 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 91 C 8.07 4.23 0.00 2.99 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 92 E 8.03 4.02 0.00 2.31 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 0.00 2.60 2.41 0.00 93 E 8.44 3.87 0.00 2.19 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 2.31 2.40 0.00 94 Q 8.25 3.89 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 95 I 7.85 3.65 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.83 0.99 0.00 0.00 96 C 7.74 3.16 0.00 1.94 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 97 E 7.69 3.63 0.00 2.20 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 2.23 2.31 0.00 98 C 8.04 4.16 0.00 3.22 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 99 D 7.80 3.37 0.00 2.68 2.48 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 0.00 100 R 8.37 3.78 0.00 1.86 1.95 0.00 3.32 0.00 0.00 3.10 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 101 V 7.87 3.46 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 0.86 0.00 0.00 0.88 0.00 0.00 102 A 7.80 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.02 3.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.07 4.14 0.00 2.15 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 2.51 2.30 0.00 105 C 7.84 4.12 0.00 2.96 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 0.00 106 F 7.79 4.64 0.00 3.09 2.72 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 0.00 107 R 7.63 3.92 0.00 1.94 2.07 0.00 3.08 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 108 R 8.02 4.05 0.00 1.98 2.01 0.00 3.19 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 109 N 7.69 4.97 0.00 2.82 2.90 0.00 0.00 6.84 8.09 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 0.00 110 L 8.09 4.19 0.00 1.89 1.76 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.21 4.41 0.00 2.83 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 0.00 112 T 7.61 4.44 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 1.27 0.00 0.00 113 Y 7.70 3.91 0.00 3.13 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 0.00 114 N 8.57 5.01 0.00 2.83 2.67 0.00 0.00 6.80 6.61 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 0.00 115 N 9.06 4.70 0.00 2.97 2.99 0.00 0.00 7.00 7.75 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 0.00 116 G 8.24 3.83 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 0.00 0.00 0.00 117 Y 7.65 4.63 0.00 2.36 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 0.00 118 M 7.44 4.47 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.10 0.00 119 F 8.79 3.81 0.00 3.19 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 0.00 120 Y 8.15 4.30 0.00 3.09 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 0.00 121 R 8.50 3.96 0.00 1.77 1.89 0.00 3.14 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 1.74 1.61 0.00 122 D 8.79 4.44 0.00 2.73 2.69 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 *124 S 7.93 4.46 0.00 4.04 4.03 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 0.00 125 K 7.92 4.34 0.00 1.67 1.76 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.34 7.81 126 C 7.68 4.88 0.00 3.15 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 0.00 127 T 7.55 4.33 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 1.23 0.00 0.00 128 E 7.93 4.75 0.00 2.10 2.02 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 2.17 2.24 0.00 129 T 8.61 3.95 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 1.23 0.00 0.00 130 S 8.59 5.16 0.00 3.86 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 0.00 131 E 8.95 4.24 0.00 1.69 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 2.21 2.19 0.00 132 E 8.54 4.79 0.00 1.93 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 2.27 2.29 0.00 133 C 8.64 4.38 0.00 2.90 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 * Residues marked with a * may have inaccurate shift predictions.