NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4093 8.3049 120.3608 55.4386 33.5808 178.1825 2 S 4.4953 8.8423 116.8215 56.5894 63.9205 170.2443 3 H 4.8098 9.9802 127.0399 57.0081 31.3316 173.6132 4 T 5.3214 9.3189 122.1083 61.9034 72.4464 172.7405 5 I 4.9935 8.8956 126.5934 59.4775 40.0930 174.1356 6 L 5.2453 9.0975 129.2543 53.3057 44.6241 174.7584 7 L 5.3315 9.0048 126.2543 53.0175 44.5932 175.5970 8 V 4.8043 8.9724 123.6444 61.0660 35.2582 173.9150 9 Q 4.6956 8.9689 128.9139 53.8424 30.6758 173.8569 10 P 4.3316 0.0000 0.0000 65.1579 32.5073 176.4122 11 T 4.7734 7.6433 108.2736 59.9019 71.8864 174.2489 12 K 3.9950 8.5590 121.6589 56.9699 31.9700 173.8809 13 R 4.1924 7.7266 117.1929 55.6203 29.8450 175.3894 14 P 4.2938 0.0000 0.0000 65.8555 31.1855 178.5123 15 E 4.0392 8.1854 117.2401 58.8401 29.4946 178.0215 16 G 3.7397 7.8885 106.1909 46.6203 0.0000 174.0160 17 R 4.1602 7.6258 119.1871 57.6449 30.6575 175.8082 18 T 4.9072 8.9478 117.3187 61.1121 71.7912 171.2962 19 Y 5.5270 7.9275 119.8667 55.6320 41.3283 173.9414 20 A 4.8113 9.1648 120.8055 50.4199 23.1300 174.7176 21 D 5.3433 8.1774 117.5277 52.1306 43.0573 174.0505 22 Y 4.8505 8.8508 118.3493 57.6287 42.6086 176.5310 23 E 4.5251 9.1747 116.2497 57.6740 30.6710 177.2326 24 S 5.5057 7.6528 110.1694 55.8248 67.5577 174.9983 25 V 3.6974 8.5544 121.2053 66.7031 31.0871 177.6883 26 N 4.3378 8.2513 115.2892 56.5205 38.2869 177.1215 27 E 3.9356 8.1254 119.6836 59.1985 29.5351 178.7552 28 C 2.5846 8.0008 118.7446 62.5168 31.4973 175.6144 29 M 4.0624 8.2855 120.4545 58.5079 31.5035 178.6079 30 E 4.0897 8.4503 118.9534 59.1573 29.4922 179.6198 31 G 3.5293 7.9267 106.0224 47.7665 0.0000 175.5798 32 V 3.7107 7.6914 121.1512 66.2031 31.4080 177.9238 33 C 4.3543 8.0930 118.6839 63.3902 27.9562 176.9884 34 K 4.0375 8.2224 125.4236 59.8870 31.2287 180.7752 35 M 4.2577 8.3665 119.7382 58.9922 32.0427 177.8287 36 Y 3.3604 7.8942 118.9857 60.3898 38.8702 177.5515 37 E 3.6649 8.2030 119.6276 59.0298 29.4903 179.0683 38 E 3.9919 8.1540 118.9116 59.0692 29.6579 178.5955 39 H 4.0826 7.7951 118.3013 59.3818 30.0698 177.3204 40 L 3.7644 7.5325 123.0772 58.2562 41.1109 180.4192 41 K 4.0681 7.8602 125.2841 60.2595 31.6628 182.0340 42 R 4.2499 7.8621 120.3893 61.6284 29.3459 181.2651 43 M 4.3787 7.7247 117.2186 57.0746 33.6584 176.1664 44 N 5.0805 7.8613 114.9586 51.0894 39.2762 173.3650 45 P 4.2132 0.0000 0.0000 66.6413 31.9226 178.9557 46 N 4.6758 8.1102 110.6152 53.4760 38.4003 177.6077 47 S 4.6525 7.6460 118.6325 60.1177 62.0845 175.2640 *51 T 4.1004 8.2982 119.7368 61.8735 69.6307 170.4579 52 Y 4.9135 7.6583 120.9277 54.6163 40.0181 173.5535 53 D 4.8263 8.8473 122.1465 51.7435 43.1633 177.4151 54 I 3.5204 7.9393 118.2503 64.1691 37.8280 177.5116 55 S 4.1461 8.0227 115.5723 61.7623 62.5662 176.6822 56 Q 3.9992 7.9895 119.9545 58.8655 28.5474 178.3129 57 L 2.9020 7.3627 121.0974 58.1948 42.0028 179.1967 58 F 4.5401 8.6791 117.7735 60.6469 38.7760 177.5034 59 D 4.3789 8.6251 119.1609 57.1536 40.3736 178.3582 60 F 4.1676 8.1247 120.4678 61.3811 39.7091 177.0090 61 I 3.6247 7.9014 119.1479 64.6086 36.7637 178.0446 62 D 4.3405 7.9515 118.2507 57.5517 40.7139 178.2304 63 D 4.4020 7.8555 116.9294 55.1682 41.6174 176.6037 64 L 4.0066 6.8510 119.2218 54.8317 42.0652 177.1662 65 A 4.1671 8.2984 125.3461 55.1104 18.9429 177.0089 66 D 4.6027 8.2912 112.6476 53.7654 45.3428 174.4295 67 L 5.5168 8.5181 123.6314 54.9482 45.1147 174.1848 68 S 4.9893 8.4742 118.8092 57.7725 66.3398 172.6878 69 C 5.5670 9.0640 115.1200 56.6973 33.8703 172.5652 70 L 5.2341 9.2411 118.8129 52.9931 44.9738 175.9145 71 V 4.9622 8.8074 124.1160 60.8540 34.7271 173.9787 72 Y 3.9003 9.0894 130.0590 57.8412 39.9269 174.6927 73 R 4.3099 8.6113 126.7923 54.4073 30.9304 177.3832 74 A 3.6687 8.5149 130.8625 55.6135 18.6832 179.1117 75 D 4.4702 7.8895 112.1455 55.1179 39.8203 179.7905 76 T 4.4948 7.3470 113.9589 63.4439 70.8237 174.3292 77 Q 3.4571 7.4334 117.9945 54.8169 26.1357 178.3627 78 T 4.9166 7.0223 107.1110 60.8088 73.2639 171.6796 79 Y 4.9571 8.4893 118.2549 56.2188 40.4613 175.3488 80 Q 4.3178 9.3390 126.9439 54.2189 30.6150 172.8228 81 P 4.9588 0.0000 0.0000 62.6177 32.9570 175.0720 82 Y 4.7318 8.6906 119.5331 56.3296 42.5942 175.2814 83 N 4.9284 8.7688 120.8553 51.5270 39.5932 175.8149 84 K 3.9895 8.6305 117.8864 59.8291 32.1216 178.1816 85 D 4.2641 8.1020 118.7149 56.9448 40.7692 178.2821 86 W 4.0498 8.2664 128.3282 60.6452 30.7438 177.7686 87 I 3.8184 8.2157 119.6239 64.5397 36.4905 178.6060 88 K 3.8795 8.1406 119.2386 59.2840 31.7712 179.0538 89 E 3.8455 8.1101 119.6141 59.1062 29.5319 178.9533 90 K 3.7010 7.5892 118.5211 59.3259 32.0205 179.2579 91 I 3.7086 7.8603 119.9925 64.6299 37.0085 177.4666 92 Y 4.0210 8.4914 120.4487 60.8443 38.6191 178.0649 93 V 3.4798 8.0946 118.7891 66.1151 31.5774 177.4732 94 L 3.8660 7.7961 119.5082 58.5679 41.9183 179.1749 95 L 4.0088 8.4301 118.7281 57.2063 41.4980 179.5762 96 R 3.6019 7.9624 119.2725 59.8663 29.9395 178.0273 97 R 3.7278 7.9471 116.9242 59.8923 30.1382 178.4171 98 Q 3.8876 8.3903 116.7454 59.3527 28.7131 179.9770 99 A 3.9494 7.8224 122.8273 55.8674 18.5537 179.7525 100 Q 4.1282 7.8986 120.1498 61.4884 28.2634 181.6283 101 Q 4.3062 8.2633 121.3319 59.1472 28.1847 179.7398 102 A 4.5681 7.6147 117.5148 53.3232 19.4222 177.3031 *103 G 3.6736 7.9322 111.0472 45.6138 0.0000 172.8896 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 M 8.30 4.41 0.00 2.06 1.21 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 2 S 8.84 4.50 0.00 4.03 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 3 H 9.98 4.81 0.00 3.28 3.20 0.00 5.80 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 4 T 9.32 5.32 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 1.45 0.00 0.00 5 I 8.90 4.99 1.78 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 1.03 0.58 0.86 0.00 0.00 6 L 9.10 5.25 0.00 2.02 1.77 1.07 0.73 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 7 L 9.00 5.33 0.00 1.63 1.57 0.88 0.86 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 8 V 8.97 4.80 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 0.95 0.00 0.00 1.01 0.00 0.00 9 Q 8.97 4.70 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.29 0.00 10 P 0.00 4.33 0.00 2.11 2.06 0.00 3.59 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 2.13 2.09 0.00 11 T 7.64 4.77 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 12 K 8.56 4.00 0.00 1.80 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 13 R 7.73 4.19 0.00 1.86 1.92 0.00 3.12 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 14 P 0.00 4.29 0.00 2.21 2.33 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 15 E 8.19 4.04 0.00 1.99 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 0.00 2.32 2.26 0.00 16 G 7.89 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 17 R 7.63 4.16 0.00 1.83 1.97 0.00 3.22 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 18 T 8.95 4.91 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 1.23 0.00 0.00 19 Y 7.93 5.53 0.00 3.11 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 20 A 9.16 4.81 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.18 5.34 0.00 2.71 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 22 Y 8.85 4.85 0.00 3.08 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 23 E 9.17 4.53 0.00 1.98 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 2.20 1.86 0.00 24 S 7.65 5.51 0.00 4.03 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 25 V 8.55 3.70 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 1.28 0.00 0.00 1.14 0.00 0.00 26 N 8.25 4.34 0.00 2.79 2.86 0.00 0.00 7.05 7.66 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 27 E 8.13 3.94 0.00 2.24 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 0.00 2.39 2.37 0.00 28 C 8.00 2.58 0.00 2.98 3.10 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 29 M 8.29 4.06 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.92 0.00 30 E 8.45 4.09 0.00 2.08 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 2.37 2.58 0.00 31 G 7.93 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 32 V 7.69 3.71 2.29 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 1.16 0.00 0.00 1.03 0.00 0.00 33 C 8.09 4.35 0.00 3.18 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 34 K 8.22 4.04 0.00 1.78 1.81 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.31 7.81 35 M 8.37 4.26 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.92 0.00 36 Y 7.89 3.36 0.00 2.60 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 37 E 8.20 3.66 0.00 2.02 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 2.53 2.41 0.00 38 E 8.15 3.99 0.00 1.98 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 0.00 2.62 2.47 0.00 39 H 7.80 4.08 0.00 3.13 3.27 0.00 5.79 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 40 L 7.53 3.76 0.00 1.56 1.43 0.08 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.86 4.07 0.00 1.87 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 42 R 7.86 4.25 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 43 M 7.72 4.38 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 44 N 7.86 5.08 0.00 2.84 2.66 0.00 0.00 6.92 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 45 P 0.00 4.21 0.00 2.02 2.11 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 46 N 8.11 4.68 0.00 2.74 2.72 0.00 0.00 6.59 7.64 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 47 S 7.65 4.65 0.00 3.97 3.57 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 *51 T 8.30 4.10 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 52 Y 7.66 4.91 0.00 3.25 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 53 D 8.85 4.83 0.00 2.89 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 54 I 7.94 3.52 1.73 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.39 0.69 0.00 0.00 55 S 8.02 4.15 0.00 3.92 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 56 Q 7.99 4.00 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.66 0.00 57 L 7.36 2.90 0.00 1.51 1.71 0.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 F 8.68 4.54 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.38 0.00 2.89 2.77 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 60 F 8.12 4.17 0.00 2.75 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 61 I 7.90 3.62 2.04 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.21 0.85 0.00 0.00 62 D 7.95 4.34 0.00 2.78 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 63 D 7.86 4.40 0.00 2.64 2.82 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 64 L 6.85 4.01 0.00 1.65 1.47 0.72 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.30 4.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.60 0.00 2.78 2.45 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 67 L 8.52 5.52 0.00 1.62 1.47 0.97 1.00 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 68 S 8.47 4.99 0.00 4.05 3.91 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 69 C 9.06 5.57 0.00 3.25 3.16 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 70 L 9.24 5.23 0.00 1.50 1.65 0.78 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.81 4.96 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 1.11 0.00 0.00 1.15 0.00 0.00 72 Y 9.09 3.90 0.00 2.83 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 73 R 8.61 4.31 0.00 1.43 1.65 0.00 3.30 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.59 0.00 74 A 8.51 3.67 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 75 D 7.89 4.47 0.00 2.71 2.59 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 76 T 7.35 4.49 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 1.13 0.00 0.00 77 Q 7.43 3.46 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.11 0.00 78 T 7.02 4.92 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 1.22 0.00 0.00 79 Y 8.49 4.96 0.00 2.80 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 80 Q 9.34 4.32 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 81 P 0.00 4.96 0.00 1.94 1.89 0.00 3.48 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 82 Y 8.69 4.73 0.00 2.39 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 0.00 0.00 0.00 0.00 83 N 8.77 4.93 0.00 2.94 3.00 0.00 0.00 5.88 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 84 K 8.63 3.99 0.00 2.03 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.50 7.81 85 D 8.10 4.26 0.00 2.77 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 86 W 8.27 4.05 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.22 3.82 2.10 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.03 0.98 0.00 0.00 88 K 8.14 3.88 0.00 1.63 1.03 0.00 1.45 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.96 1.34 7.81 89 E 8.11 3.85 0.00 1.99 1.77 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 2.21 2.18 0.00 90 K 7.59 3.70 0.00 1.58 1.53 0.00 1.05 0.00 0.00 1.23 0.00 0.00 2.65 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.45 0.21 7.81 91 I 7.86 3.71 2.26 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 1.07 0.00 0.00 92 Y 8.49 4.02 0.00 3.49 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 93 V 8.09 3.48 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 0.89 0.00 0.00 1.05 0.00 0.00 94 L 7.80 3.87 0.00 1.81 1.88 0.89 0.56 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 L 8.43 4.01 0.00 1.55 1.59 0.93 0.81 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 96 R 7.96 3.60 0.00 1.26 1.79 0.00 3.07 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 97 R 7.95 3.73 0.00 2.09 1.89 0.00 3.18 0.00 0.00 3.14 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 98 Q 8.39 3.89 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 99 A 7.82 3.95 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 0.00 100 Q 7.90 4.13 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 101 Q 8.26 4.31 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 102 A 7.61 4.57 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 *103 G 7.93 3.67 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.