NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.1199 8.0244 114.2683 61.0421 38.9124 174.4768 4 R 4.2953 7.9802 120.0864 52.4393 32.5193 172.0744 5 P 4.2971 0.0000 0.0000 62.9005 33.3859 176.2692 6 L 4.2253 8.2132 124.8295 54.2859 40.9804 172.5997 7 H 3.9623 8.3584 121.4306 55.9942 30.4038 175.0201 8 D 4.5510 9.1585 126.6422 55.9149 41.2597 174.3286 9 R 4.0957 7.6544 117.8833 56.9529 31.0636 175.9227 10 V 4.4025 8.9439 124.9039 61.7997 33.6964 174.5545 11 I 4.9830 8.8033 127.5380 59.6942 40.0421 175.1103 12 V 5.0009 8.9634 119.4606 59.5752 36.6041 174.3869 13 K 4.8314 8.7530 121.3392 55.3687 35.2061 175.4503 14 R 4.8335 8.4040 122.0424 55.8071 31.1653 176.2059 15 K 4.4149 8.7056 125.5167 55.2395 33.6385 176.5613 16 E 3.8185 8.7859 120.1436 56.9662 29.5578 177.7924 17 V 3.5286 8.4425 123.9889 64.1312 32.4801 175.7003 18 E 3.6433 8.8156 128.0780 57.0170 27.4126 175.6042 19 T 3.8284 7.6300 114.7233 63.9942 68.7434 175.3060 20 K 4.7664 8.8811 125.3537 56.2465 31.7713 178.4804 21 S 4.8730 8.6370 109.8526 56.2040 64.1721 173.1772 22 A 4.1111 8.0734 124.5676 53.6315 18.2547 176.5171 23 G 3.7506 9.6672 115.0851 45.6543 0.0000 172.2491 24 G 3.8937 7.8998 109.9024 44.6507 0.0000 174.6494 25 I 4.0066 8.7259 121.6438 63.0812 38.6418 177.1023 26 V 3.5692 7.6241 119.9797 63.0695 31.6503 175.0299 27 L 4.7179 8.1531 128.6157 53.6247 40.5137 175.0115 28 T 4.0398 8.0392 118.8096 61.4590 68.3477 175.2067 29 G 3.6530 8.8324 118.2463 46.7209 0.0000 173.8601 30 S 5.4365 6.8352 122.0687 57.7872 64.9055 176.6329 31 A 4.5208 9.3049 124.5806 51.0314 20.3218 176.6081 32 A 4.1128 8.9119 117.6503 52.2018 17.1365 178.3664 33 A 4.8373 8.0011 123.2942 52.0845 21.4428 175.1239 34 K 4.4469 8.1783 119.0116 55.9282 36.5632 178.1853 35 S 4.7991 8.4356 108.6540 57.6738 64.4572 174.6231 36 T 3.8560 8.1794 114.3442 61.4478 70.6574 173.5665 37 R 4.9102 7.7188 122.7710 54.8634 32.1928 175.5029 38 G 4.6315 9.4441 110.7733 44.3690 0.0000 170.8960 39 E 5.1669 9.1119 123.3761 53.9411 31.6333 175.1490 40 V 3.9441 9.0551 128.3365 63.1268 32.0881 176.2354 41 L 4.4749 8.8876 127.8812 56.3923 43.2260 176.6612 42 A 4.6347 7.5952 117.4966 50.8041 22.5501 175.3504 43 V 4.5762 8.1948 119.2224 60.4699 34.2829 175.7399 44 G 3.7689 8.0066 113.6091 46.4893 0.0000 173.2630 45 N 4.4431 9.1350 120.2325 54.6848 38.8995 175.2142 46 G 3.8138 7.2179 104.6830 45.7902 0.0000 170.6170 47 R 4.6482 8.0588 120.0491 54.7186 29.2145 176.9381 48 I 3.8037 8.2637 126.9977 63.8857 37.6542 176.7057 49 L 4.2729 7.4542 118.3203 55.4104 42.0649 176.6861 50 E 3.8883 8.6561 119.4304 55.2727 28.4064 175.1450 51 N 4.4041 7.6771 117.9006 55.7469 39.6147 174.5639 52 G 3.6297 7.8050 106.3574 45.8803 0.0000 173.6278 53 E 3.6194 8.2294 127.5171 55.4641 28.9386 173.8726 54 V 4.2827 8.1202 119.0968 62.1736 32.0267 175.4840 55 K 4.6612 8.6339 128.0822 54.8606 35.0114 174.6770 56 P 4.8704 0.0000 0.0000 62.7580 32.7195 174.9264 57 L 4.9143 8.1739 118.8790 53.0900 43.8536 176.0870 58 D 4.7199 8.9493 121.2877 54.6757 41.2247 176.2232 59 V 4.6134 7.5318 108.8729 59.1931 36.0478 174.5962 60 K 4.6667 8.0733 118.9910 54.3847 35.3175 175.7733 61 V 3.6531 8.1781 120.0305 64.5878 31.6848 176.1634 62 G 4.0075 8.3461 115.1416 45.3205 0.0000 173.1717 63 D 4.7390 7.6512 119.3210 54.1645 42.7304 174.9590 64 I 4.9882 8.1721 119.8503 59.9432 39.2661 175.9345 65 V 4.7606 9.1474 119.4146 59.7665 36.7205 174.2045 66 I 5.0396 8.7967 123.3420 59.7741 39.2115 175.1131 67 F 5.4458 8.7158 121.0672 55.1622 41.3068 173.3990 68 N 4.6342 9.0118 119.0681 51.8741 39.8137 175.4333 69 D 4.7008 8.3173 127.0002 53.2396 40.2065 174.1675 70 G 4.1885 7.4233 111.4485 43.5539 0.0000 172.1192 71 Y 4.1059 8.7103 119.4579 60.0586 38.7980 177.6224 72 G 3.5467 8.1699 108.3246 48.0658 0.0000 172.8965 73 V 4.0084 7.9697 120.6299 62.8292 31.7012 175.7755 74 K 4.5927 8.9321 127.9955 55.0887 35.3958 175.1034 75 S 5.0214 8.1537 113.8943 57.9170 65.3792 172.5717 76 E 4.6087 8.9520 123.1177 55.7642 34.7680 174.3326 77 K 4.6910 9.0619 123.9341 54.7717 32.4830 173.9670 78 I 4.2982 8.5313 126.6531 60.1680 38.9111 175.9505 79 D 4.3757 9.9726 122.8843 55.0652 38.4676 173.9789 80 N 4.5927 8.3883 116.1851 53.1226 38.0205 174.0924 81 E 4.1874 8.2548 117.5987 56.6945 30.2609 175.9422 82 E 4.7761 8.5609 122.5020 56.0960 29.5111 175.7096 83 V 4.3075 8.8560 119.1319 59.6556 33.8928 175.4046 84 L 5.0787 8.7662 125.5342 53.6141 44.0710 175.7161 85 I 5.1316 8.4525 122.3137 60.0019 41.5958 174.3601 86 M 5.2378 8.9081 122.3221 54.8850 35.2726 174.0323 87 S 4.7812 9.1371 114.0379 57.0714 64.5623 174.9273 88 E 3.9356 8.9000 122.7915 59.3759 29.3829 178.9707 89 S 4.3007 7.4755 111.9876 60.0448 63.0708 174.3597 90 D 4.7172 8.0924 120.8596 54.8491 41.4963 176.2180 91 I 4.4013 7.7456 121.2927 60.8817 37.8583 175.6357 92 L 4.3571 8.8071 125.0404 56.4006 42.7441 176.7742 93 A 4.5228 7.2064 117.3650 51.7468 22.2891 174.8989 94 I 4.6642 8.1589 123.3509 61.5573 38.4579 177.2276 *95 V 3.9215 8.3815 122.4458 62.1315 32.1549 172.4079 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 3 I 8.02 4.12 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.90 0.00 0.00 4 R 7.98 4.30 0.00 1.79 1.79 0.00 3.28 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 5 P 0.00 4.30 0.00 2.28 2.01 0.00 3.79 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 2.03 1.93 0.00 6 L 8.21 4.23 0.00 1.58 1.56 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.36 3.96 0.00 3.61 3.35 0.00 5.93 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.16 4.55 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 9 R 7.65 4.10 0.00 1.72 1.82 0.00 3.27 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 10 V 8.94 4.40 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 0.92 0.00 0.00 0.96 0.00 0.00 11 I 8.80 4.98 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.61 0.89 0.00 0.00 12 V 8.96 5.00 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 0.66 0.00 0.00 0.69 0.00 0.00 13 K 8.75 4.83 0.00 1.82 1.91 0.00 1.31 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.37 7.81 14 R 8.40 4.83 0.00 1.93 1.91 0.00 3.35 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.94 0.00 15 K 8.71 4.41 0.00 1.70 1.76 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.45 7.81 16 E 8.79 3.82 0.00 1.95 1.94 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 2.33 2.27 0.00 17 V 8.44 3.53 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 0.80 0.00 0.00 0.95 0.00 0.00 18 E 8.82 3.64 0.00 2.10 1.94 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 2.25 2.25 0.00 19 T 7.63 3.83 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 1.20 0.00 0.00 20 K 8.88 4.77 0.00 1.86 1.84 0.00 1.81 0.00 0.00 1.83 0.00 0.00 3.28 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.62 7.81 21 S 8.64 4.87 0.00 3.94 3.99 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 22 A 8.07 4.11 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 23 G 9.67 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.90 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 25 I 8.73 4.01 1.87 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 1.30 0.61 0.91 0.00 0.00 26 V 7.62 3.57 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 0.95 0.00 0.00 0.93 0.00 0.00 27 L 8.15 4.72 0.00 1.64 1.59 0.92 1.04 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 28 T 8.04 4.04 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 29 G 8.83 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 0.00 0.00 0.00 30 S 6.84 5.44 0.00 3.99 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 31 A 9.30 4.52 1.22 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 0.00 0.00 32 A 8.91 4.11 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.84 1.17 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 0.00 0.00 34 K 8.18 4.45 0.00 1.83 1.05 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.49 7.81 35 S 8.44 4.80 0.00 3.92 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 36 T 8.18 3.86 3.99 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 1.03 0.00 0.00 37 R 7.72 4.91 0.00 1.81 1.90 0.00 3.02 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 1.63 1.66 0.00 38 G 9.44 4.63 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 0.00 0.00 0.00 39 E 9.11 5.17 0.00 2.02 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 2.23 0.00 40 V 9.06 3.94 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 0.94 0.00 0.00 0.97 0.00 0.00 41 L 8.89 4.47 0.00 1.62 1.68 0.92 0.59 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 42 A 7.60 4.63 1.18 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 0.00 0.00 43 V 8.19 4.58 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 0.82 0.00 0.00 0.91 0.00 0.00 44 G 8.01 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 0.00 0.00 0.00 45 N 9.13 4.44 0.00 2.75 2.92 0.00 0.00 6.81 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 46 G 7.22 3.81 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 0.00 0.00 0.00 47 R 8.06 4.65 0.00 1.83 1.82 0.00 3.09 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 48 I 8.26 3.80 1.76 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 0.85 0.00 0.00 49 L 7.45 4.27 0.00 1.64 1.62 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.66 3.89 0.00 2.06 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 2.15 2.33 0.00 51 N 7.68 4.40 0.00 2.85 2.90 0.00 0.00 7.09 7.86 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 52 G 7.80 3.63 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 0.00 0.00 0.00 53 E 8.23 3.62 0.00 2.10 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 2.21 2.33 0.00 54 V 8.12 4.28 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 0.84 0.00 0.00 0.91 0.00 0.00 55 K 8.63 4.66 0.00 1.85 1.90 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.49 1.52 7.81 56 P 0.00 4.87 0.00 2.10 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 57 L 8.17 4.91 0.00 1.62 1.59 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.95 4.72 0.00 2.63 2.65 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 59 V 7.53 4.61 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 0.83 0.00 0.00 0.93 0.00 0.00 60 K 8.07 4.67 0.00 1.88 1.87 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.38 7.81 61 V 8.18 3.65 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 0.84 0.00 0.00 0.94 0.00 0.00 62 G 8.35 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 0.00 0.00 0.00 63 D 7.65 4.74 0.00 2.82 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 64 I 8.17 4.99 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.61 1.00 0.00 0.00 65 V 9.15 4.76 2.15 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 0.80 0.00 0.00 1.07 0.00 0.00 66 I 8.80 5.04 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.85 0.00 0.00 67 F 8.72 5.45 0.00 3.07 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 68 N 9.01 4.63 0.00 2.78 2.80 0.00 0.00 7.09 9.24 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 69 D 8.32 4.70 0.00 2.59 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 70 G 7.42 4.19 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 0.00 71 Y 8.71 4.11 0.00 2.93 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 72 G 8.17 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.97 4.01 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 0.81 0.00 0.00 1.13 0.00 0.00 74 K 8.93 4.59 0.00 1.55 1.60 0.00 1.55 0.00 0.00 1.30 0.00 0.00 2.44 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.37 1.36 7.81 75 S 8.15 5.02 0.00 3.81 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 76 E 8.95 4.61 0.00 1.87 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 77 K 9.06 4.69 0.00 1.66 1.70 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.42 7.81 78 I 8.53 4.30 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.90 0.00 0.00 79 D 9.97 4.38 0.00 2.80 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 80 N 8.39 4.59 0.00 2.77 3.19 0.00 0.00 7.16 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 81 E 8.25 4.19 0.00 2.25 1.84 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 2.32 2.32 0.00 82 E 8.56 4.78 0.00 1.85 1.94 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 2.31 2.29 0.00 83 V 8.86 4.31 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 0.80 0.00 0.00 0.93 0.00 0.00 84 L 8.77 5.08 0.00 1.66 1.40 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.45 5.13 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.87 0.00 0.00 86 M 8.91 5.24 0.00 1.81 2.19 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.28 0.00 87 S 9.14 4.78 0.00 4.18 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 88 E 8.90 3.94 0.00 2.04 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 2.32 2.26 0.00 89 S 7.48 4.30 0.00 4.23 3.99 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 90 D 8.09 4.72 0.00 2.88 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 91 I 7.75 4.40 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 1.00 0.00 0.00 92 L 8.81 4.36 0.00 1.71 1.72 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.21 4.52 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 94 I 8.16 4.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.92 0.00 0.00 *95 V 8.38 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.