NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3618 8.0433 120.5870 54.4604 44.1747 175.6031 2 I 3.9264 8.2502 123.4351 60.3680 37.9334 172.9122 3 Q 5.0984 9.3595 130.3999 54.8960 31.1557 174.7220 4 T 4.8506 9.0378 122.2924 61.2202 73.2103 172.2248 5 P 4.8488 0.0000 0.0000 62.0630 32.8230 177.0018 6 S 4.8123 8.4186 113.1865 60.3290 64.2410 173.8057 7 S 5.0144 7.7855 112.9611 56.7167 65.6710 173.0755 8 L 4.5100 9.0350 127.0256 53.7057 45.8993 173.8342 9 L 5.3226 8.5152 127.8332 52.7635 43.9133 175.4684 10 V 4.6651 8.2190 119.2196 59.3337 35.3589 175.0515 11 Q 4.8178 8.3202 120.1417 55.1937 30.6827 175.3654 12 T 3.9023 8.0162 117.5624 65.8260 68.9975 174.0805 13 N 4.5223 9.1166 120.4991 54.3624 36.7667 173.3571 14 H 4.9534 7.6341 115.7857 54.3860 32.6272 172.4947 15 T 5.0018 8.4149 114.9663 62.2599 70.4036 174.6149 16 A 4.4425 8.9481 128.9773 50.4911 20.2581 175.4698 17 K 5.0409 8.4226 123.2986 56.0183 34.3037 175.1689 18 M 5.0539 8.8229 122.8321 54.7981 35.3750 173.0893 19 S 5.4105 8.8813 113.0137 58.6149 66.9679 172.9926 20 C 5.2362 8.3145 113.6399 56.8084 33.2468 173.0266 21 E 4.8760 9.0104 121.7405 55.3498 29.4319 176.3609 22 V 4.0706 8.9599 126.5770 62.1785 32.4992 175.5966 23 K 4.5585 8.1106 124.7514 56.1470 35.2653 175.2366 24 S 3.6494 8.7324 118.6037 58.6842 59.1744 171.6553 25 I 4.0620 7.8204 123.4826 60.5909 39.4335 178.6686 26 S 5.1970 8.9109 123.8601 59.9507 61.9558 179.2603 *30 S 4.5326 8.8526 118.7010 59.0617 64.7816 173.7471 31 I 4.6517 9.0058 125.2879 59.3846 40.5218 173.7473 32 Y 5.2191 8.9813 126.5771 56.0439 41.6442 174.6601 33 W 5.6438 9.3950 121.4590 55.2001 33.1379 174.5579 34 L 5.5621 9.9515 123.5632 53.0522 46.1271 175.1530 35 R 4.7374 9.3162 119.8101 54.5693 33.6336 173.4454 36 E 4.1672 8.4881 126.6497 54.4615 30.9187 175.1094 37 R 4.4541 8.0411 126.6754 54.1010 32.1287 175.4271 38 Q 4.3435 8.1742 124.7154 54.3303 30.6371 175.5253 39 D 4.6270 7.9835 129.7807 55.9838 39.9333 175.6943 40 P 4.4948 0.0000 0.0000 62.7409 29.7688 175.2085 41 K 4.6878 8.2687 122.4622 57.4619 39.9702 175.1613 42 D 5.0839 7.9137 117.6307 51.7272 44.1339 173.8686 43 K 5.2287 8.6225 123.0606 54.1918 35.2430 174.7467 44 Y 5.1206 7.7160 123.5855 55.8900 41.2897 173.9320 45 F 5.0578 9.2883 120.4973 57.3078 40.5342 174.7427 46 E 5.0308 9.4512 118.9210 54.7513 33.1553 174.0352 47 F 4.8143 9.1539 124.3987 58.7897 40.3015 174.5172 48 L 4.3442 8.8595 129.1117 56.0049 42.7345 175.9282 49 A 4.4142 7.1316 117.4169 51.3284 22.8435 173.9457 50 S 4.9990 8.6944 112.6691 57.0420 67.0980 173.3412 51 W 5.3169 9.4412 131.3559 55.7414 33.7674 173.9290 52 S 4.3279 7.7646 121.5376 55.7884 65.1498 173.8736 53 S 3.4467 7.1657 119.3889 59.1448 62.7859 173.2431 54 S 3.8378 8.4294 118.7234 58.5169 59.9450 170.1648 55 K 4.6786 8.2561 131.3400 56.8152 34.0552 175.6206 56 G 3.7370 6.8803 107.8161 45.4952 0.0000 172.1252 57 V 4.5628 8.3113 120.0941 62.3381 32.8292 176.8681 58 L 4.9717 8.7623 126.1575 53.2545 45.5287 175.1815 59 Y 4.9290 8.7755 119.6446 55.8480 41.0008 175.7124 60 G 4.0462 8.8691 109.8287 45.6873 0.0000 174.8902 61 E 4.2459 9.3167 124.0634 59.3772 29.7405 177.4059 62 S 4.6103 7.9832 113.5123 59.0018 63.3625 174.3100 63 V 4.3431 7.4565 120.7182 60.9616 32.7906 174.8523 64 D 4.4146 8.8615 127.2713 56.3329 40.3335 177.7964 65 K 4.3240 7.5980 121.8249 53.7813 30.8370 177.8114 66 K 3.8510 7.6691 120.7419 59.0551 32.6436 179.8421 67 R 3.9082 7.7195 113.7093 58.0721 29.8421 176.7922 68 N 4.5288 8.3975 115.9035 53.5321 38.9462 174.2873 69 I 4.6679 7.2764 120.3860 59.9178 37.6752 174.4114 70 I 4.3885 8.6873 128.9372 59.5791 38.9536 174.7334 71 L 4.9814 8.5143 127.3487 53.3349 43.1666 175.8862 72 E 4.6173 8.7113 122.4794 54.7943 34.2371 175.8601 73 S 3.7966 8.6198 115.2741 59.5933 60.6975 175.1488 74 S 3.9742 7.9421 117.1480 60.7536 63.2698 175.2571 75 D 4.6159 6.9670 120.6231 51.3293 38.4194 174.1237 76 S 4.5943 7.0593 112.0437 57.8503 66.5018 174.5731 77 R 4.0583 8.4926 117.8734 57.9889 30.5985 176.6017 78 R 5.6748 7.5101 118.2805 52.9717 29.7456 172.3015 79 P 5.2786 0.0000 0.0000 61.8741 33.3124 175.6690 80 F 5.2929 9.7290 122.3231 55.6847 42.4123 174.2682 81 L 4.6654 8.7408 123.1356 53.1191 45.0026 175.2281 82 S 4.9515 8.9388 122.0009 56.7097 66.4284 172.9455 83 I 4.7007 8.3535 125.7771 59.9563 38.7415 175.1820 84 M 4.4669 8.7222 127.2811 53.8796 33.9515 175.3807 85 N 4.0719 8.6218 115.3891 54.2349 37.8965 174.6333 86 V 4.0676 7.5107 108.8308 61.5533 32.5717 175.8739 87 K 4.9517 9.0237 120.8364 53.7493 35.9845 175.9935 88 P 4.6912 0.0000 0.0000 65.0099 31.4050 178.9881 89 E 4.0648 8.1120 116.7683 59.1876 29.4650 177.6301 90 D 4.6116 8.1238 117.3393 55.7182 41.1130 176.7310 91 S 4.4510 7.9709 116.8716 58.6860 63.5043 173.8135 92 D 4.3435 8.2010 123.0134 54.6893 46.8971 174.8581 93 F 4.7052 7.9426 117.4168 56.8509 40.8208 174.9509 94 Y 5.1546 8.7147 120.3367 56.2475 41.3313 174.7668 95 F 5.4865 9.5646 121.2869 56.0125 43.5842 174.4635 96 C 4.6326 9.0043 116.8432 57.4929 32.1872 171.9780 97 A 4.6564 7.9973 117.8722 51.1715 22.5497 175.6283 98 T 5.1055 8.3311 111.1641 59.8700 72.4590 173.1631 99 V 4.6942 8.3316 121.4751 60.2899 34.5737 173.4867 100 G 4.1283 9.1849 115.0638 45.5724 0.0000 176.9866 101 S 4.4897 8.6577 117.0782 56.0420 62.8706 171.1101 102 P 4.6616 0.0000 0.0000 62.3800 32.0349 175.9543 103 K 3.7041 7.8940 120.9527 57.7406 32.2817 174.4067 104 M 5.1583 8.5821 125.7271 53.6085 34.5985 174.9251 105 V 4.6694 8.4006 124.8497 60.0006 34.7375 174.4475 106 F 5.1513 9.1330 122.0613 55.7364 41.2791 175.7315 107 G 4.1991 8.5156 109.6336 45.5152 0.0000 173.3189 108 T 4.3901 8.4424 111.2410 61.8096 69.8201 174.2300 109 G 3.9045 8.7508 109.6271 45.8041 0.0000 172.6213 110 T 5.0104 8.0071 115.2461 60.3743 71.8057 173.7914 111 K 3.4823 8.8061 129.9773 55.3780 33.0639 175.0632 112 L 5.0937 8.7177 131.6338 53.5774 44.0943 175.0992 113 T 4.8705 8.8446 116.5270 59.7811 71.9248 172.8238 114 V 5.1340 8.6762 125.8342 60.4875 34.0014 175.7829 115 V 4.0575 8.2530 120.3661 61.4501 31.8898 176.1084 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 L 8.04 4.36 0.00 1.67 1.80 0.96 0.50 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 2 I 8.25 3.93 1.88 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 1.25 0.41 0.93 0.00 0.00 3 Q 9.36 5.10 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 4 T 9.04 4.85 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 1.21 0.00 0.00 5 P 0.00 4.85 0.00 2.39 2.17 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 6 S 8.42 4.81 0.00 3.99 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 7 S 7.79 5.01 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 8 L 9.04 4.51 0.00 1.66 1.35 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.52 5.32 0.00 1.59 1.50 0.95 0.96 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 10 V 8.22 4.67 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 0.76 0.00 0.00 0.89 0.00 0.00 11 Q 8.32 4.82 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 12 T 8.02 3.90 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 13 N 9.12 4.52 0.00 2.76 2.87 0.00 0.00 6.79 8.08 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 14 H 7.63 4.95 0.00 3.21 3.19 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.41 5.00 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 1.16 0.00 0.00 16 A 8.95 4.44 1.07 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 0.00 0.00 17 K 8.42 5.04 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.59 1.43 7.81 18 M 8.82 5.05 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 19 S 8.88 5.41 0.00 3.15 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 C 8.31 5.24 0.00 3.04 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 21 E 9.01 4.88 0.00 1.82 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 2.30 2.24 0.00 22 V 8.96 4.07 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 0.75 0.00 0.00 0.94 0.00 0.00 23 K 8.11 4.56 0.00 1.85 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.37 7.81 24 S 8.73 3.65 0.00 4.05 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 25 I 7.82 4.06 1.89 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 1.43 0.48 0.94 0.00 0.00 26 S 8.91 5.20 0.00 3.99 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 4.53 0.00 3.89 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 31 I 9.01 4.65 1.93 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.41 1.17 0.00 0.00 32 Y 8.98 5.22 0.00 2.95 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 33 W 9.39 5.64 0.00 3.27 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 34 L 9.95 5.56 0.00 1.92 2.14 1.25 0.84 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 35 R 9.32 4.74 0.00 1.69 1.69 0.00 2.94 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.72 0.00 36 E 8.49 4.17 0.00 1.41 1.68 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 1.88 1.47 0.00 37 R 8.04 4.45 0.00 0.70 1.39 0.00 3.14 0.00 0.00 3.11 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.19 0.00 38 Q 8.17 4.34 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.25 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 39 D 7.98 4.63 0.00 2.79 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 40 P 0.00 4.49 0.00 2.13 2.46 0.00 3.75 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 41 K 8.27 4.69 0.00 1.83 1.88 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.72 1.40 7.81 42 D 7.91 5.08 0.00 2.74 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 43 K 8.62 5.23 0.00 1.89 1.63 0.00 1.69 0.00 0.00 2.21 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.16 7.81 44 Y 7.72 5.12 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.29 5.06 0.00 3.01 3.22 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 0.00 46 E 9.45 5.03 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 47 F 9.15 4.81 0.00 3.23 3.17 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 48 L 8.86 4.34 0.00 2.08 1.70 1.10 1.24 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 49 A 7.13 4.41 0.93 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 50 S 8.69 5.00 0.00 3.13 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.44 5.32 0.00 3.33 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 S 7.76 4.33 0.00 3.61 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.17 3.45 0.00 3.61 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 3.84 0.00 4.14 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 55 K 8.26 4.68 0.00 1.58 1.70 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.11 1.13 7.81 56 G 6.88 3.74 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 0.00 0.00 0.00 57 V 8.31 4.56 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 0.33 0.00 0.00 1.16 0.00 0.00 58 L 8.76 4.97 0.00 1.72 1.66 0.95 1.12 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 59 Y 8.78 4.93 0.00 2.86 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 60 G 8.87 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 61 E 9.32 4.25 0.00 2.08 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 2.42 2.36 0.00 62 S 7.98 4.61 0.00 3.98 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 63 V 7.46 4.34 2.33 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 0.88 0.00 0.00 1.06 0.00 0.00 64 D 8.86 4.41 0.00 2.83 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 65 K 7.60 4.32 0.00 1.82 1.77 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.43 7.81 66 K 7.67 3.85 0.00 1.46 0.91 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.51 7.81 67 R 7.72 3.91 0.00 1.85 1.96 0.00 2.98 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 68 N 8.40 4.53 0.00 2.89 2.97 0.00 0.00 6.72 6.92 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 69 I 7.28 4.67 2.06 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 1.31 0.43 0.99 0.00 0.00 70 I 8.69 4.39 1.81 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 1.19 0.98 0.88 0.00 0.00 71 L 8.51 4.98 0.00 1.52 1.62 0.82 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.71 4.62 0.00 1.85 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 73 S 8.62 3.80 0.00 4.26 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 74 S 7.94 3.97 0.00 2.72 3.21 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 75 D 6.97 4.62 0.00 2.72 2.21 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 76 S 7.06 4.59 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.49 4.06 0.00 1.81 2.03 0.00 3.08 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 78 R 7.51 5.67 0.00 1.77 1.89 0.00 3.23 0.00 0.00 3.25 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 79 P 0.00 5.28 0.00 2.34 2.09 0.00 4.04 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 80 F 9.73 5.29 0.00 2.90 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 81 L 8.74 4.67 0.00 0.27 0.21 0.47 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.94 4.95 0.00 3.75 3.61 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 83 I 8.35 4.70 1.64 0.00 0.00 0.16 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 0.41 0.81 0.00 0.00 84 M 8.72 4.47 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 85 N 8.62 4.07 0.00 2.88 2.76 0.00 0.00 6.90 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.51 4.07 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 0.64 0.00 0.00 0.96 0.00 0.00 87 K 9.02 4.95 0.00 1.69 1.86 0.00 1.68 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.51 7.81 88 P 0.00 4.69 0.00 2.17 2.16 0.00 3.88 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 89 E 8.11 4.06 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 90 D 8.12 4.61 0.00 2.85 2.78 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 91 S 7.97 4.45 0.00 3.81 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 92 D 8.20 4.34 0.00 2.40 2.36 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 93 F 7.94 4.71 0.00 3.09 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 94 Y 8.71 5.15 0.00 2.82 2.93 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 95 F 9.56 5.49 0.00 3.40 3.22 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 0.00 96 C 9.00 4.63 0.00 2.10 1.68 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 97 A 8.00 4.66 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.33 5.11 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 1.23 0.00 0.00 99 V 8.33 4.69 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 0.71 0.00 0.00 0.45 0.00 0.00 100 G 9.18 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 0.00 101 S 8.66 4.49 0.00 3.91 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 0.00 102 P 0.00 4.66 0.00 2.15 2.14 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 103 K 7.89 3.70 0.00 1.76 1.74 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.39 7.81 104 M 8.58 5.16 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 105 V 8.40 4.67 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 0.68 0.00 0.00 0.96 0.00 0.00 106 F 9.13 5.15 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.52 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 0.00 108 T 8.44 4.39 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 1.29 0.00 0.00 109 G 8.75 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 0.00 0.00 0.00 110 T 8.01 5.01 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 1.18 0.00 0.00 111 K 8.81 3.48 0.00 0.79 1.30 0.00 1.43 0.00 0.00 1.39 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.99 0.33 7.81 112 L 8.72 5.09 0.00 1.72 1.76 0.88 0.47 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 0.00 113 T 8.84 4.87 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 1.13 0.00 0.00 114 V 8.68 5.13 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 1.12 0.00 0.00 0.95 0.00 0.00 115 V 8.25 4.06 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 0.63 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.