NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 Q 4.2336 8.2027 119.6307 55.9649 31.2044 173.6430 17 N 4.8890 7.8233 118.7107 52.1193 41.2355 172.4157 18 F 5.0739 9.8120 126.7347 55.1455 42.7892 174.9328 19 L 4.4626 8.8314 121.8945 55.5244 42.2871 176.3643 20 F 4.9853 9.1978 124.2199 56.8121 43.0756 173.5844 21 G 4.1325 7.1369 109.1149 45.5462 0.0000 171.7771 22 C 4.5702 8.3617 114.7379 56.5010 33.5141 172.1751 23 E 4.6064 8.5342 120.6277 54.2639 31.5335 174.7539 24 L 5.0135 8.4532 127.1738 53.0156 44.8566 175.8133 25 K 4.5498 8.6330 121.1510 56.1741 35.8641 176.2283 26 A 3.9678 8.7331 122.4788 55.3517 18.4163 178.3715 27 D 4.4804 8.0601 114.2630 57.3790 41.5629 176.8153 28 K 4.6273 8.0409 119.4569 55.6500 33.7384 175.4145 29 K 4.2256 8.1925 122.0377 57.4768 33.4677 176.1455 30 E 5.3167 8.1213 118.3470 54.4977 33.2640 174.5721 31 Y 4.6537 9.1598 123.4808 55.8470 42.2266 173.8678 32 S 4.8309 7.8463 121.1287 56.5586 64.3251 172.6276 33 F 4.9218 9.3051 131.1901 56.0999 40.6885 174.3427 34 K 4.2975 8.2208 125.5010 54.9488 32.0469 180.3914 35 V 3.3800 8.8222 128.8754 62.8407 30.3875 169.1317 36 E 4.3507 8.1562 116.5438 57.0414 30.3508 175.3552 *42 H 5.0390 7.7555 115.2948 56.2318 30.4411 172.3588 43 Q 4.6484 8.6711 119.1938 55.1521 33.0236 172.5898 44 L 4.5224 8.2357 127.9712 53.6248 44.0331 174.9654 45 S 5.0052 8.8740 121.3659 56.3715 64.6129 172.7423 46 L 4.2493 8.7285 128.7971 55.1133 42.3251 177.1314 47 R 4.4843 9.5545 122.9468 57.5694 31.8642 176.1501 48 T 5.2096 7.8573 106.5171 59.9025 72.9856 172.1500 49 V 5.0131 8.7791 122.4596 61.2692 34.6401 174.4910 50 S 5.1994 9.1394 121.0635 56.9489 66.7757 172.8053 51 L 4.8026 8.5646 121.9423 53.7050 43.0028 177.0626 52 G 4.0677 8.9632 110.1448 45.4646 0.0000 174.6338 53 A 4.1331 8.7095 123.0904 54.7607 18.4340 178.8001 54 S 4.4828 7.9415 107.2149 58.2019 63.8089 174.3312 55 A 4.6296 7.6881 124.6051 51.3724 18.6511 177.5743 56 K 4.0062 8.6112 123.9079 56.7190 32.8275 177.7579 57 D 4.9352 8.4317 126.2421 53.9824 38.2544 174.0531 58 E 4.7721 7.8802 119.3527 54.0388 33.4518 175.0519 59 L 4.3400 8.4922 122.4840 55.6401 42.8346 175.4821 60 H 5.1371 9.6733 123.3406 53.9603 31.9050 173.1560 61 V 4.8139 8.5267 122.5551 61.1215 34.1639 174.1014 62 V 4.8769 8.6930 128.3815 61.1626 33.4943 174.2576 63 E 5.2912 9.2737 125.2744 54.4538 33.2440 174.3836 64 A 5.2039 8.9442 122.6760 50.1381 22.2554 174.9495 65 E 4.9754 9.0078 122.9250 54.7811 32.7538 175.3605 66 G 4.3930 8.6107 112.9004 46.2608 0.0000 171.3421 67 I 4.6863 8.4552 113.9148 59.6170 38.9096 175.5530 68 N 4.8179 9.0048 122.9987 51.4169 39.3143 174.8238 69 Y 4.1277 8.7162 118.2029 61.1247 38.6391 177.2598 70 E 3.8455 8.3045 116.7882 57.0515 29.7455 177.5888 71 G 3.8412 8.2114 107.2162 45.4743 0.0000 173.2561 72 K 4.3603 8.4297 121.7260 55.5086 33.7813 176.1330 73 T 4.7395 8.4808 123.9425 63.5956 69.0643 173.8275 74 I 4.7696 9.3633 119.6932 58.9829 41.6496 174.1745 75 K 5.1974 8.6710 122.3507 54.6212 34.2090 175.6365 76 I 4.6844 8.8630 118.3274 58.8644 40.9318 174.4181 77 A 4.5716 8.5877 126.6636 51.7330 18.6423 177.1096 78 L 4.3952 9.1065 123.8933 57.5364 42.5817 177.5338 79 A 4.6978 7.7512 117.8134 50.8614 22.7826 175.0920 80 S 5.2399 8.6996 116.2069 56.8437 65.1690 173.7098 81 L 5.0612 9.1186 124.6463 52.8426 45.9497 175.6579 82 K 4.9223 8.6285 121.6373 54.4329 35.2272 175.1495 83 P 4.2460 0.0000 0.0000 65.6892 31.3606 177.2401 84 S 4.5712 8.0278 108.9404 58.3916 63.5347 173.9896 85 V 4.1931 7.6246 118.5293 64.3954 33.4016 176.2730 86 Q 4.5850 8.2456 123.4639 54.8397 30.2750 172.0492 87 P 4.6180 0.0000 0.0000 64.0622 32.9533 176.1686 88 T 5.1924 7.7943 115.9340 61.7406 72.5664 173.2888 89 V 4.4157 8.8177 124.4214 61.1501 34.7719 174.0250 90 S 5.0084 8.7045 122.6254 57.3524 62.6853 173.6716 91 L 4.1684 9.0710 127.8716 54.8781 42.1263 178.3102 92 G 3.7407 8.4819 106.3358 45.6550 0.0000 173.5110 93 G 3.6907 8.1444 105.1215 46.3552 0.0000 174.8630 94 F 4.6054 8.6810 121.5113 57.4810 40.2171 174.8965 95 E 4.7311 8.8463 126.1956 56.2640 30.4146 176.5979 96 I 4.7293 8.7496 124.6302 59.7337 41.3870 174.6385 97 T 4.7609 8.5289 122.6329 61.8751 69.3772 173.1999 98 P 4.5600 0.0000 0.0000 62.3210 32.1253 173.8656 99 P 5.2505 0.0000 0.0000 62.0338 33.3394 175.1733 100 V 4.8296 8.6266 119.9095 60.5409 35.3630 173.3676 101 I 4.9640 8.6459 124.1005 59.7556 39.6319 174.3916 102 L 5.2773 9.0168 127.3133 53.2149 43.8907 175.8176 103 R 5.1064 9.0408 119.4852 54.4135 33.3527 174.2290 104 L 4.3611 8.8942 125.2954 54.7422 41.4112 176.1668 105 K 4.3456 9.0264 130.0003 59.0619 32.9486 176.8273 106 S 4.5528 8.0396 112.2141 57.5835 65.1690 174.5631 107 G 3.9773 8.8719 106.9214 45.0397 0.0000 174.8974 108 S 4.1795 8.5098 115.4315 59.3631 63.4116 176.1880 109 G 3.8922 7.8238 110.2215 43.4608 0.0000 170.5893 110 P 4.8619 0.0000 0.0000 62.6105 33.0950 175.4812 111 V 4.8813 8.4596 120.1490 61.4045 35.1530 173.8089 112 Y 5.0154 9.1754 123.9090 56.1369 41.7283 174.7417 113 V 4.9883 8.6980 121.6168 61.1716 34.9772 174.5213 114 S 5.2032 9.0893 121.8025 56.6617 66.5297 174.3146 115 G 3.9548 7.7084 106.6221 46.3165 0.0000 171.6857 116 Q 5.2510 8.1055 118.4704 54.3841 33.2415 174.2280 117 H 5.2895 9.9323 122.9205 54.6946 32.2481 172.8478 118 L 5.2758 9.2108 126.7382 53.1433 43.9162 175.8005 119 V 4.7435 8.7963 122.9194 61.0936 34.5075 175.2090 120 A 4.3139 8.3984 131.5920 51.5321 20.3337 176.5056 121 L 4.0597 8.5781 120.4385 55.6888 40.9308 172.1668 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 16 Q 8.20 4.23 0.00 1.76 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 17 N 7.82 4.89 0.00 2.65 2.52 0.00 0.00 6.82 6.14 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 18 F 9.81 5.07 0.00 3.26 2.92 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 19 L 8.83 4.46 0.00 1.62 1.68 0.95 0.78 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 20 F 9.20 4.99 0.00 3.19 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 21 G 7.14 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 22 C 8.36 4.57 0.00 2.51 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 0.00 0.00 0.00 23 E 8.53 4.61 0.00 1.84 1.73 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 1.87 1.47 0.00 24 L 8.45 5.01 0.00 1.48 1.49 0.92 0.72 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 25 K 8.63 4.55 0.00 1.74 1.80 0.00 1.30 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.35 7.81 26 A 8.73 3.97 1.30 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 27 D 8.06 4.48 0.00 2.64 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 28 K 8.04 4.63 0.00 1.76 1.61 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 29 K 8.19 4.23 0.00 1.76 1.84 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.47 7.81 30 E 8.12 5.32 0.00 1.81 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 2.27 0.00 31 Y 9.16 4.65 0.00 3.10 2.88 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 32 S 7.85 4.83 0.00 3.81 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.31 4.92 0.00 3.30 3.06 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 0.00 0.00 0.00 34 K 8.22 4.30 0.00 1.56 0.74 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.29 7.81 35 V 8.82 3.38 1.88 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 0.68 0.00 0.00 0.67 0.00 0.00 36 E 8.16 4.35 0.00 1.91 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 2.17 2.23 0.00 *42 H 7.76 5.04 0.00 3.11 3.44 0.00 5.75 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.67 4.65 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.50 0.00 44 L 8.24 4.52 0.00 0.70 0.89 -0.88 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.87 5.01 0.00 3.85 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 46 L 8.73 4.25 0.00 1.60 1.54 0.60 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.55 4.48 0.00 1.82 1.96 0.00 3.25 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 48 T 7.86 5.21 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 49 V 8.78 5.01 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 1.17 0.00 0.00 0.95 0.00 0.00 50 S 9.14 5.20 0.00 3.89 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 51 L 8.56 4.80 0.00 1.55 1.57 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.96 4.07 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 0.00 53 A 8.71 4.13 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 54 S 7.94 4.48 0.00 4.01 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 55 A 7.69 4.63 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 56 K 8.61 4.01 0.00 1.74 1.89 0.00 1.90 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.40 7.81 57 D 8.43 4.94 0.00 2.73 2.61 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 58 E 7.88 4.77 0.00 1.94 1.87 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 2.34 2.20 0.00 59 L 8.49 4.34 0.00 1.67 1.61 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 60 H 9.67 5.14 0.00 3.05 3.18 0.00 5.61 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 61 V 8.53 4.81 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 1.04 0.00 0.00 0.94 0.00 0.00 62 V 8.69 4.88 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 0.99 0.00 0.00 0.94 0.00 0.00 63 E 9.27 5.29 0.00 2.20 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 2.17 2.23 0.00 64 A 8.94 5.20 1.12 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 0.00 0.00 0.00 0.00 0.00 65 E 9.01 4.98 0.00 1.98 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 2.19 2.37 0.00 66 G 8.61 4.39 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 0.00 0.00 0.00 67 I 8.46 4.69 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 1.50 0.97 0.92 0.00 0.00 68 N 9.00 4.82 0.00 2.92 3.08 0.00 0.00 6.24 7.53 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 69 Y 8.72 4.13 0.00 2.90 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 70 E 8.30 3.85 0.00 2.18 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 2.35 2.40 0.00 71 G 8.21 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 0.00 0.00 0.00 72 K 8.43 4.36 0.00 1.84 1.83 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.42 7.81 73 T 8.48 4.74 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 74 I 9.36 4.77 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.99 0.94 0.00 0.00 75 K 8.67 5.20 0.00 1.64 1.93 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.41 7.81 76 I 8.86 4.68 1.94 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.96 0.00 0.00 77 A 8.59 4.57 1.28 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 0.00 0.00 0.00 78 L 9.11 4.40 0.00 1.64 1.76 0.78 0.37 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 79 A 7.75 4.70 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 80 S 8.70 5.24 0.00 3.75 3.80 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 81 L 9.12 5.06 0.00 1.55 1.62 1.04 0.53 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 82 K 8.63 4.92 0.00 1.84 1.60 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.53 7.81 83 P 0.00 4.25 0.00 2.21 2.12 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 84 S 8.03 4.57 0.00 4.01 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 85 V 7.62 4.19 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 0.84 0.00 0.00 0.94 0.00 0.00 86 Q 8.25 4.58 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 87 P 0.00 4.62 0.00 2.16 2.28 0.00 3.69 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 2.07 2.00 0.00 88 T 7.79 5.19 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 89 V 8.82 4.42 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 1.06 0.00 0.00 0.95 0.00 0.00 90 S 8.70 5.01 0.00 3.93 3.77 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 91 L 9.07 4.17 0.00 1.83 1.89 0.97 0.94 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 92 G 8.48 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 93 G 8.14 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 0.00 0.00 0.00 94 F 8.68 4.61 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 95 E 8.85 4.73 0.00 1.96 2.14 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 2.33 2.37 0.00 96 I 8.75 4.73 1.65 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.12 0.85 0.00 0.00 97 T 8.53 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 1.26 0.00 0.00 98 P 0.00 4.56 0.00 2.15 2.17 0.00 3.86 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 99 P 0.00 5.25 0.00 2.10 2.07 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 100 V 8.63 4.83 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 0.89 0.00 0.00 0.94 0.00 0.00 101 I 8.65 4.96 1.89 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 0.61 0.98 0.00 0.00 102 L 9.02 5.28 0.00 1.73 1.62 0.98 0.72 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 0.00 103 R 9.04 5.11 0.00 1.81 1.98 0.00 2.90 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 104 L 8.89 4.36 0.00 1.62 1.65 1.07 0.58 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 0.00 105 K 9.03 4.35 0.00 1.81 1.98 0.00 2.06 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 106 S 8.04 4.55 0.00 3.86 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 0.00 107 G 8.87 3.98 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 0.00 0.00 0.00 108 S 8.51 4.18 0.00 4.02 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 0.00 109 G 7.82 3.89 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 0.00 0.00 0.00 110 P 0.00 4.86 0.00 1.83 2.11 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.06 0.00 111 V 8.46 4.88 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 0.99 0.00 0.00 0.90 0.00 0.00 112 Y 9.18 5.02 0.00 2.96 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 0.00 113 V 8.70 4.99 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 1.07 0.00 0.00 0.94 0.00 0.00 114 S 9.09 5.20 0.00 3.90 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 0.00 115 G 7.71 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 0.00 116 Q 8.11 5.25 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 117 H 9.93 5.29 0.00 3.40 3.40 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.21 5.28 0.00 1.76 1.60 0.94 0.55 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 0.00 119 V 8.80 4.74 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 0.74 0.00 0.00 1.11 0.00 0.00 120 A 8.40 4.31 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 0.00 121 L 8.58 4.06 0.00 1.84 1.53 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.