NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0517 8.2601 123.5848 51.8650 18.9315 175.7179 *2 A 4.2105 8.1187 123.1018 52.9425 19.6970 175.2058 3 T 4.8850 8.3645 112.2853 60.1931 72.2416 173.4640 4 K 4.6116 8.9766 121.6936 54.5032 36.9860 174.6196 5 L 5.2476 9.0576 123.3631 53.4115 44.4909 175.2184 6 V 4.7997 8.4548 126.5168 60.2393 33.4882 175.2904 7 I 4.7787 8.9210 125.2188 59.4907 39.7360 174.3026 8 A 5.2092 8.9651 128.7133 50.2625 21.9425 174.5172 9 I 4.9172 8.8788 124.3189 60.0190 39.5691 175.3112 10 V 4.7817 8.5658 124.9008 61.5822 35.8501 173.4085 11 Q 4.4312 8.7160 123.9703 55.5340 29.3855 176.8283 12 D 4.4639 9.0981 123.1197 57.6750 40.6062 179.3787 13 K 3.9209 8.0904 117.3867 60.0900 32.6275 177.8643 14 D 4.6899 8.2843 117.4724 54.4806 41.1757 178.3059 15 A 4.3786 7.9352 122.5158 55.1073 18.4587 179.2301 16 N 4.3196 8.2151 114.9392 56.5198 38.6693 176.3276 17 Y 4.1984 8.0840 120.1252 61.0209 38.7440 177.8244 18 L 3.3110 7.8257 120.9498 58.1230 41.6933 178.7604 19 S 4.1385 8.0258 113.7668 61.9647 62.6184 176.3477 20 D 4.3273 7.8936 121.6694 57.0077 40.4149 178.5471 21 Q 3.7349 7.6461 118.6347 59.1580 28.5538 179.0770 22 F 4.4998 7.8881 118.7394 60.7981 38.8640 177.9891 23 I 4.0875 7.4699 118.7100 64.5206 36.9678 177.9922 24 D 4.6412 8.1255 117.2777 56.0119 40.5847 177.0315 25 Q 4.5057 7.1639 117.1059 55.0296 29.8409 174.5981 26 N 4.1180 8.5426 115.1491 54.9781 37.4654 174.3531 27 V 4.0895 8.6008 118.0545 60.6484 32.5898 175.7008 28 R 4.1126 8.4057 127.3146 55.5453 28.6949 175.5844 29 A 4.6567 8.0200 124.8976 50.2545 21.0869 175.9863 30 T 4.6571 8.2640 113.9825 59.8935 70.0787 172.4933 31 K 4.5298 8.5363 128.7338 54.5143 34.5404 174.9287 32 L 4.7523 8.8459 126.6018 52.9786 45.4545 175.2011 33 S 4.8937 8.4906 115.9367 57.1555 63.7757 172.9047 34 T 4.9227 8.4398 116.9686 59.9988 72.3889 172.4633 35 T 5.1366 7.9952 110.2236 60.4784 72.0124 173.0378 36 G 3.8577 9.1510 109.0089 46.8522 0.0000 173.6768 37 G 4.3601 8.5191 104.9097 44.7533 0.0000 174.2064 38 F 3.9731 8.8043 120.4519 61.1776 39.1785 176.1724 39 L 4.2001 8.0345 117.4588 54.8352 42.0445 176.0061 40 Q 3.5700 7.8247 119.0164 57.0840 27.7671 172.6660 41 S 4.6884 7.6501 112.9848 56.9529 66.5837 172.7791 42 G 4.2713 8.5269 107.0158 45.9194 0.0000 173.2562 43 N 5.5392 9.0443 122.1956 50.5602 41.1470 172.8736 44 T 4.9589 8.6781 106.9310 60.9514 72.6952 173.0430 45 T 5.1221 8.3602 119.7563 62.3397 71.6829 173.8982 46 F 5.3142 8.7602 123.9331 55.1558 43.2258 173.7389 *48 I 3.8705 8.2738 120.3929 62.0207 38.5858 175.2980 49 G 4.2634 8.6635 115.4966 45.2595 0.0000 172.2056 50 I 4.7421 8.3396 125.9721 58.6342 42.3890 174.1194 51 E 4.3128 8.5148 124.4046 55.8319 30.6338 177.1823 52 E 3.8703 9.5202 123.8884 59.7272 29.3983 179.2278 53 E 4.0984 8.1528 114.9936 58.3993 29.9824 177.9026 54 R 4.4264 8.0833 118.2613 55.8327 31.0053 177.7944 55 V 3.5169 7.4760 118.9986 65.8518 31.4833 175.8108 56 P 4.1996 0.0000 0.0000 65.6442 31.1391 177.7466 57 E 3.8683 8.2176 117.3744 59.6330 29.6080 178.7339 58 V 3.6606 7.7231 117.6890 66.3029 31.4493 178.0727 59 L 4.0392 8.1451 118.7112 57.7848 41.4657 179.1077 60 E 4.0304 8.3310 119.2859 59.2085 29.2923 178.9109 61 I 3.7042 7.5247 119.3729 64.2192 37.5073 178.2950 62 I 3.7534 7.6120 120.2062 64.1489 37.0040 177.8939 63 K 3.8327 8.3297 120.8955 59.9249 31.7179 178.5484 64 K 3.9740 7.8186 116.5810 59.5542 32.1302 178.8397 65 A 4.5765 7.7728 118.9221 54.1612 18.7025 178.7425 66 S 4.8906 7.8670 108.4556 59.4341 65.9956 174.0367 67 H 4.5901 8.4072 116.8730 56.4415 29.1072 175.1583 68 T 4.3978 8.4330 116.0800 64.0603 69.7426 174.0001 69 R 5.0130 9.1099 123.9727 55.3351 35.5497 173.2384 70 E 5.1422 8.5760 118.6346 55.0769 31.7779 175.7339 71 E 4.6513 9.4207 122.1513 54.6502 34.4256 175.1179 72 F 5.6501 8.7749 120.1082 56.2328 40.7411 175.4042 *74 T 4.0159 8.1546 109.3461 61.0881 69.4979 171.9127 75 P 4.5202 0.0000 0.0000 61.7925 31.6120 175.7516 76 S 3.9039 8.7004 128.0993 59.8783 63.9035 176.1979 *89 Y 4.6140 7.9584 119.4869 55.7649 39.0446 175.5676 90 P 5.0965 0.0000 0.0000 61.0604 34.0550 173.9794 91 I 4.8670 8.0721 119.4724 59.3761 42.4148 173.4718 92 K 4.5523 8.7243 126.9446 55.3702 32.5918 175.9061 93 V 4.5497 9.1167 121.3135 59.4363 35.5971 174.6600 94 Q 4.8432 8.4829 123.5600 55.7842 30.1923 175.0183 95 V 4.3166 9.0854 117.6949 61.1693 36.6517 175.5786 96 G 3.7095 9.0024 109.0513 47.2328 0.0000 173.7597 97 G 4.1329 9.4260 108.7818 45.1455 0.0000 172.6349 98 A 4.8725 8.1293 123.1953 50.4290 22.2097 175.0974 99 T 4.7793 8.6583 117.2576 60.4824 70.1766 173.6633 100 V 5.0679 8.1709 125.5009 60.4353 34.5484 173.5980 101 L 5.0003 8.9858 123.7880 52.7580 45.2112 175.6467 102 V 4.9681 8.4268 121.7390 59.8301 33.4736 174.6868 103 L 5.0098 8.9198 126.1597 52.6645 43.6258 174.2777 104 P 4.7977 0.0000 0.0000 62.8936 32.3581 175.7630 105 V 4.3844 7.7812 120.1238 60.0944 32.9794 175.2028 106 D 4.5327 9.0998 125.6634 56.9374 40.9916 176.5767 107 Q 4.6108 7.6061 116.5059 54.4949 32.1032 173.2715 108 F 4.6834 8.6397 124.8295 56.5108 42.1342 173.5175 109 E 4.3843 7.7583 126.5611 54.1455 32.4388 175.0296 110 R 4.2201 8.0353 121.7719 54.3321 32.3518 175.7871 111 F 4.8755 8.4090 121.8234 57.8421 39.4848 175.1445 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 0 A 8.26 4.05 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 *2 A 8.12 4.21 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 3 T 8.36 4.88 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 0.91 0.00 0.00 4 K 8.98 4.61 0.00 1.57 1.83 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.45 7.81 5 L 9.06 5.25 0.00 1.68 1.49 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.45 4.80 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 0.69 0.00 0.00 0.93 0.00 0.00 7 I 8.92 4.78 1.90 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 1.18 0.90 0.95 0.00 0.00 8 A 8.97 5.21 1.35 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 9 I 8.88 4.92 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 1.15 0.89 0.95 0.00 0.00 10 V 8.57 4.78 2.31 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 1.14 0.00 0.00 1.01 0.00 0.00 11 Q 8.72 4.43 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.55 0.00 0.00 0.00 0.00 0.00 2.47 2.24 0.00 12 D 9.10 4.46 0.00 2.69 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 13 K 8.09 3.92 0.00 1.90 1.97 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.56 7.81 14 D 8.28 4.69 0.00 2.76 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 15 A 7.94 4.38 1.53 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 16 N 8.22 4.32 0.00 2.81 2.93 0.00 0.00 6.77 7.48 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 17 Y 8.08 4.20 0.00 2.96 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 18 L 7.83 3.31 0.00 1.84 1.21 0.46 -0.38 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 19 S 8.03 4.14 0.00 4.36 4.64 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 20 D 7.89 4.33 0.00 2.83 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 21 Q 7.65 3.73 0.00 1.55 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 1.39 1.62 0.00 22 F 7.89 4.50 0.00 3.20 3.15 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 23 I 7.47 4.09 2.02 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 1.60 0.94 0.94 0.00 0.00 24 D 8.13 4.64 0.00 2.57 2.71 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 0.00 25 Q 7.16 4.51 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 26 N 8.54 4.12 0.00 2.81 2.91 0.00 0.00 6.82 7.47 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 27 V 8.60 4.09 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 0.28 0.00 0.00 0.96 0.00 0.00 28 R 8.41 4.11 0.00 1.82 1.90 0.00 3.26 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 29 A 8.02 4.66 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 30 T 8.26 4.66 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 31 K 8.54 4.53 0.00 1.48 1.51 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.91 0.35 7.81 32 L 8.85 4.75 0.00 1.52 1.46 0.93 0.41 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 33 S 8.49 4.89 0.00 3.82 3.73 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 34 T 8.44 4.92 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 1.19 0.00 0.00 35 T 8.00 5.14 4.52 0.00 0.00 0.00 0.00 0.00 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 36 G 9.15 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 0.00 0.00 0.00 37 G 8.52 4.36 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 0.00 0.00 0.00 38 F 8.80 3.97 0.00 2.98 3.12 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 39 L 8.03 4.20 0.00 1.75 1.75 1.11 0.98 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 40 Q 7.82 3.57 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 41 S 7.65 4.69 0.00 3.90 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 42 G 8.53 4.27 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 0.00 43 N 9.04 5.54 0.00 3.11 2.95 0.00 0.00 6.34 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.68 4.96 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 1.30 0.00 0.00 45 T 8.36 5.12 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 1.24 0.00 0.00 46 F 8.76 5.31 0.00 3.13 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 *48 I 8.27 3.87 1.74 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 1.06 0.89 0.68 0.00 0.00 49 G 8.66 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 50 I 8.34 4.74 1.73 0.00 0.00 0.76 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 1.17 0.82 0.00 0.00 51 E 8.51 4.31 0.00 2.29 1.93 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 2.27 2.17 0.00 52 E 9.52 3.87 0.00 2.07 1.98 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 2.29 2.32 0.00 53 E 8.15 4.10 0.00 2.13 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 2.23 2.32 0.00 54 R 8.08 4.43 0.00 1.89 1.92 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 55 V 7.48 3.52 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 1.10 0.00 0.00 0.91 0.00 0.00 56 P 0.00 4.20 0.00 2.18 2.09 0.00 3.57 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 2.10 2.15 0.00 57 E 8.22 3.87 0.00 2.02 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 2.39 2.38 0.00 58 V 7.72 3.66 2.25 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 0.96 0.00 0.00 0.92 0.00 0.00 59 L 8.15 4.04 0.00 1.87 1.71 0.93 1.09 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 60 E 8.33 4.03 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 2.31 2.40 0.00 61 I 7.52 3.70 2.08 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.76 0.00 0.00 62 I 7.61 3.75 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.93 0.00 0.00 63 K 8.33 3.83 0.00 1.80 1.85 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.54 7.81 64 K 7.82 3.97 0.00 1.84 1.93 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.71 7.81 65 A 7.77 4.58 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 66 S 7.87 4.89 0.00 3.87 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 67 H 8.41 4.59 0.00 3.17 3.53 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.43 4.40 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 1.20 0.00 0.00 69 R 9.11 5.01 0.00 1.65 1.80 0.00 3.01 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 70 E 8.58 5.14 0.00 1.70 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 2.12 2.23 0.00 71 E 9.42 4.65 0.00 1.73 1.74 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 2.16 2.20 0.00 72 F 8.77 5.65 0.00 2.97 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 *74 T 8.15 4.02 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 1.26 0.00 0.00 75 P 0.00 4.52 0.00 2.07 2.06 0.00 3.73 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 2.02 2.11 0.00 76 S 8.70 3.90 0.00 3.86 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 *89 Y 7.96 4.61 0.00 2.36 2.25 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 90 P 0.00 5.10 0.00 1.98 2.05 0.00 3.36 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.00 0.00 91 I 8.07 4.87 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.53 0.95 0.00 0.00 92 K 8.72 4.55 0.00 1.62 1.59 0.00 1.44 0.00 0.00 1.53 0.00 0.00 2.59 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.04 0.56 7.81 93 V 9.12 4.55 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 0.75 0.00 0.00 0.91 0.00 0.00 94 Q 8.48 4.84 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 95 V 9.09 4.32 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 0.60 0.00 0.00 0.93 0.00 0.00 96 G 9.00 3.71 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 0.00 0.00 0.00 0.00 97 G 9.43 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 98 A 8.13 4.87 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 99 T 8.66 4.78 4.27 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 1.24 0.00 0.00 100 V 8.17 5.07 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 0.77 0.00 0.00 0.95 0.00 0.00 101 L 8.99 5.00 0.00 1.61 1.57 0.94 0.55 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 0.00 102 V 8.43 4.97 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 0.77 0.00 0.00 0.92 0.00 0.00 103 L 8.92 5.01 0.00 1.67 1.78 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.80 0.00 2.10 2.09 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 105 V 7.78 4.38 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 0.78 0.00 0.00 1.06 0.00 0.00 106 D 9.10 4.53 0.00 2.70 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 0.00 107 Q 7.61 4.61 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 108 F 8.64 4.68 0.00 2.95 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 0.00 109 E 7.76 4.38 0.00 1.16 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 2.03 2.13 0.00 110 R 8.04 4.22 0.00 1.62 1.74 0.00 3.18 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 111 F 8.41 4.88 0.00 2.96 2.71 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 0.00 * Residues marked with a * may have inaccurate shift predictions.