NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.1568 8.3149 122.1351 54.2791 34.5609 175.7459 *2 I 4.1049 7.3102 117.1332 61.8507 38.1809 174.4067 3 T 5.0902 8.4838 120.0024 61.9843 69.6684 172.9402 4 P 4.8654 0.0000 0.0000 61.2738 33.2830 175.7501 5 R 4.2805 8.4366 119.1424 57.1309 31.1400 175.5804 6 F 5.3773 8.1619 116.6648 56.6635 41.1295 173.0623 7 S 4.6013 8.8828 110.8962 57.6052 66.1003 174.4088 8 I 5.4322 8.1626 122.9460 59.6855 40.4902 174.3974 9 T 4.7722 8.2805 118.3659 63.4659 72.9750 172.3016 10 Q 5.3227 8.5759 119.7411 55.6486 31.1509 173.8569 11 D 5.2897 8.8691 120.1550 51.9253 42.2767 175.7722 12 E 4.2625 9.0376 114.8859 59.1760 29.9074 177.7821 13 E 4.1342 8.0303 119.2031 55.8215 31.2881 174.7247 14 F 5.2598 8.3286 116.0140 55.7813 44.0587 173.4720 15 I 4.6404 8.3935 121.3167 59.6739 39.6895 174.9440 16 F 4.9242 9.2743 125.5614 55.7562 41.6366 173.8896 17 L 5.1277 9.3739 127.2936 53.1421 44.3240 174.8363 18 K 5.0952 9.1207 127.4305 54.6949 35.1699 174.5266 19 I 4.8714 8.7022 128.1318 59.2504 40.4280 174.4999 20 F 4.8000 9.0134 130.8248 58.0839 39.7211 174.7413 21 I 4.1993 7.7102 126.8358 58.8880 40.1360 176.0522 22 S 4.1613 8.2506 121.6650 58.0881 63.6030 174.7342 23 N 4.6949 9.8714 122.6352 56.4074 38.4069 177.6175 24 I 3.9189 7.7958 118.9788 64.0276 37.2720 177.9958 25 R 4.2630 7.6033 117.7500 57.2381 30.6513 177.3258 26 F 3.8556 7.7917 120.5668 58.3825 39.9554 174.2332 27 S 4.2099 7.1212 120.5409 56.2046 64.9775 174.4393 28 A 3.8337 8.3005 130.3833 54.6758 18.7473 178.9110 29 V 3.6485 7.6918 115.2566 66.0337 31.6958 177.6786 30 G 3.5584 7.6990 106.7634 47.3952 0.0000 173.5618 31 L 4.0900 6.9134 121.6636 55.1207 42.8089 176.2022 32 E 4.6396 8.8938 126.5667 54.8989 33.3254 173.5626 33 I 5.0877 8.5270 127.1376 59.6226 40.3107 174.6888 34 I 4.5176 8.8888 128.2623 59.5539 39.6631 174.5329 35 I 4.7748 8.4211 128.0190 59.5057 39.0675 175.6736 36 Q 4.2910 8.4228 124.8211 55.4291 30.9570 175.7318 37 E 3.8465 9.4815 127.3229 57.3233 28.5722 176.2428 38 N 5.1243 8.9957 124.5814 52.4289 36.9736 175.9705 *40 I 4.4535 7.3007 119.5633 62.0927 39.5990 176.3174 41 I 4.7681 9.1527 128.6499 59.6120 39.6712 174.5315 42 F 5.2767 8.9566 128.4290 56.7009 42.5556 173.3118 43 H 4.9510 8.7422 122.7285 53.9249 32.2413 172.9215 44 L 5.1273 8.3991 125.2386 52.4310 42.9541 173.2984 45 S 4.1227 8.2098 114.5525 57.9757 62.8228 172.2107 46 P 4.5559 0.0000 0.0000 62.8030 31.8249 175.3606 47 Y 5.3264 7.7069 117.6364 57.9064 38.6390 173.7896 48 Y 5.5105 8.5037 123.4104 56.4727 42.2037 173.8557 49 L 4.5351 8.3789 125.2625 52.8033 46.2917 175.5753 50 R 4.6119 8.2142 122.2616 54.6628 32.3025 173.8397 51 L 4.5218 8.5577 126.9426 52.7844 43.6382 176.1058 52 R 4.7466 8.2794 123.9651 54.6918 31.5970 175.0290 53 F 4.9035 9.0859 125.1384 55.1319 41.1873 174.2747 54 P 4.2162 0.0000 0.0000 65.1976 31.3097 176.3590 55 H 4.8923 7.0404 111.8705 53.3339 32.1440 172.9986 56 E 4.5007 8.4252 119.8285 56.5219 30.7351 176.1171 57 L 5.2301 9.7571 122.1573 53.0787 44.9666 175.6496 58 I 4.4264 8.4800 120.2430 59.5932 40.6245 175.0118 59 D 4.6907 8.9208 129.7615 52.5922 40.3436 174.6277 60 D 5.3224 7.7839 127.3355 51.2457 41.9543 176.8527 61 E 4.0008 8.7664 115.1988 59.5738 29.8124 177.8659 62 R 4.1028 9.2002 120.1603 57.9051 30.4147 176.2513 63 S 4.8003 7.5892 113.3321 58.3483 64.1247 173.8630 64 T 4.8068 8.5077 111.7325 59.8390 72.2892 172.6734 65 A 5.0945 8.5608 123.9967 50.5686 21.6529 175.3602 66 Q 4.5710 9.4006 121.3748 54.5563 33.5516 174.0738 67 Y 4.6800 8.4144 124.1594 56.0433 40.4207 174.1605 68 D 4.5038 8.5355 128.9240 53.5320 41.1311 177.0816 69 S 3.4660 8.2410 122.0670 60.7761 63.6291 176.2925 70 K 4.0297 7.9153 119.7235 59.6202 31.8803 178.0885 71 D 4.3784 8.7460 116.4361 54.9037 41.6001 176.0264 72 E 3.4962 7.9343 118.6974 56.8764 27.3030 173.1779 73 C 5.2103 6.9452 111.3323 56.9167 34.1421 173.6034 74 I 4.8624 9.0628 121.5591 60.2781 38.8972 174.3645 75 N 5.3512 9.5600 125.2799 51.5146 40.9709 173.8726 76 V 4.8786 9.0861 124.1380 60.8288 34.9733 173.9455 77 K 4.7433 8.9902 128.8498 54.4954 34.9556 174.7846 78 V 4.7264 8.2337 126.2310 60.9578 35.0689 174.2572 79 A 4.7815 8.4587 127.5729 50.8324 20.4361 176.9410 80 K 4.2742 8.3816 120.0598 56.1276 32.7984 178.0869 81 L 4.1246 8.6159 126.0742 57.7446 42.7434 177.0943 82 N 4.8213 7.6574 115.4774 50.7653 41.4633 174.1773 83 K 3.9234 8.5388 124.3570 56.9977 32.8671 177.8342 84 N 3.9357 8.7961 117.4302 54.5199 38.3061 174.8635 85 E 3.9566 8.6906 119.3951 56.4762 29.8350 175.6620 86 Y 4.6874 8.5564 127.2563 56.8724 39.9878 174.3624 87 F 4.6144 7.5329 123.3333 55.4309 40.1862 175.7775 88 E 4.2290 8.5659 123.8386 56.3339 30.5881 175.4395 89 D 4.4144 8.6886 116.3048 55.3227 38.7701 175.6506 90 L 4.1380 8.1732 120.3848 57.3934 42.6343 175.8217 91 D 4.1683 7.7833 120.6004 54.8479 40.9782 174.7637 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 K 8.31 4.16 0.00 1.79 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 *2 I 7.31 4.10 1.78 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 1.31 0.99 1.08 0.00 0.00 3 T 8.48 5.09 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 4 P 0.00 4.87 0.00 2.11 1.71 0.00 3.63 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.37 0.00 5 R 8.44 4.28 0.00 1.91 1.90 0.00 3.29 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 6 F 8.16 5.38 0.00 3.05 2.89 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 7 S 8.88 4.60 0.00 3.94 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 8 I 8.16 5.43 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.09 1.20 0.00 0.00 9 T 8.28 4.77 4.48 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 0.00 0.00 0.00 1.18 0.00 0.00 10 Q 8.58 5.32 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 11 D 8.87 5.29 0.00 3.05 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 12 E 9.04 4.26 0.00 2.35 2.30 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 2.35 2.26 0.00 13 E 8.03 4.13 0.00 1.94 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 1.47 1.78 0.00 14 F 8.33 5.26 0.00 2.49 2.04 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 15 I 8.39 4.64 1.48 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.46 0.70 0.00 0.00 16 F 9.27 4.92 0.00 2.85 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 17 L 9.37 5.13 0.00 1.79 1.64 0.99 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.12 5.10 0.00 1.88 1.77 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.39 7.81 19 I 8.70 4.87 1.64 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.43 0.51 0.00 0.00 20 F 9.01 4.80 0.00 3.05 2.99 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 21 I 7.71 4.20 1.93 0.00 0.00 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 1.22 1.22 0.97 0.00 0.00 22 S 8.25 4.16 0.00 4.06 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 23 N 9.87 4.69 0.00 2.73 3.06 0.00 0.00 6.99 7.33 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 24 I 7.80 3.92 1.94 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 1.69 0.53 0.96 0.00 0.00 25 R 7.60 4.26 0.00 2.06 2.18 0.00 3.63 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.09 0.00 26 F 7.79 3.86 0.00 2.28 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.12 4.21 0.00 3.64 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 28 A 8.30 3.83 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.65 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 0.75 0.00 0.00 0.88 0.00 0.00 30 G 7.70 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.91 4.09 0.00 1.59 1.62 1.08 1.06 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 32 E 8.89 4.64 0.00 1.96 1.66 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 2.19 2.26 0.00 33 I 8.53 5.09 1.94 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 1.61 0.99 0.98 0.00 0.00 34 I 8.89 4.52 1.92 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 1.25 1.03 0.94 0.00 0.00 35 I 8.42 4.77 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 1.37 0.43 0.90 0.00 0.00 36 Q 8.42 4.29 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.22 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 37 E 9.48 3.85 0.00 2.25 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 38 N 9.00 5.12 0.00 3.12 3.03 0.00 0.00 5.91 7.83 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 *40 I 7.30 4.45 2.08 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 1.36 0.76 0.97 0.00 0.00 41 I 9.15 4.77 1.93 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 1.16 1.12 0.98 0.00 0.00 42 F 8.96 5.28 0.00 2.94 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 43 H 8.74 4.95 0.00 2.95 3.03 0.00 5.84 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 44 L 8.40 5.13 0.00 1.31 1.59 0.80 0.44 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 45 S 8.21 4.12 0.00 3.81 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 46 P 0.00 4.56 0.00 1.90 1.96 0.00 2.75 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.89 0.00 47 Y 7.71 5.33 0.00 3.44 3.19 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 48 Y 8.50 5.51 0.00 2.88 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 49 L 8.38 4.54 0.00 1.46 1.11 0.24 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.21 4.61 0.00 1.50 1.73 0.00 3.38 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 51 L 8.56 4.52 0.00 1.51 1.04 0.79 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.28 4.75 0.00 1.74 1.71 0.00 3.19 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 53 F 9.09 4.90 0.00 3.15 3.28 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 54 P 0.00 4.22 0.00 1.35 1.93 0.00 3.87 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 1.96 2.07 0.00 55 H 7.04 4.89 0.00 1.89 2.86 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.43 4.50 0.00 1.96 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 2.43 2.36 0.00 57 L 9.76 5.23 0.00 1.44 1.57 0.41 0.30 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 58 I 8.48 4.43 1.86 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 1.10 0.75 0.94 0.00 0.00 59 D 8.92 4.69 0.00 2.64 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 60 D 7.78 5.32 0.00 2.91 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 61 E 8.77 4.00 0.00 2.11 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 2.30 2.26 0.00 62 R 9.20 4.10 0.00 1.94 2.16 0.00 3.50 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.69 0.00 63 S 7.59 4.80 0.00 3.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.51 4.81 4.21 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 1.19 0.00 0.00 65 A 8.56 5.09 1.27 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 66 Q 9.40 4.57 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 67 Y 8.41 4.68 0.00 2.23 2.37 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 0.00 68 D 8.54 4.50 0.00 2.61 2.32 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 69 S 8.24 3.47 0.00 3.95 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 70 K 7.92 4.03 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.37 7.81 71 D 8.75 4.38 0.00 2.58 2.70 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 72 E 7.93 3.50 0.00 2.33 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 2.32 2.41 0.00 73 C 6.95 5.21 0.00 3.10 3.05 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 74 I 9.06 4.86 1.92 0.00 0.00 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 1.51 0.97 1.11 0.00 0.00 75 N 9.56 5.35 0.00 2.66 2.74 0.00 0.00 6.04 6.20 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 76 V 9.09 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 0.94 0.00 0.00 0.97 0.00 0.00 77 K 8.99 4.74 0.00 1.59 1.33 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.60 0.33 7.81 78 V 8.23 4.73 1.90 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 0.90 0.00 0.00 0.85 0.00 0.00 79 A 8.46 4.78 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 80 K 8.38 4.27 0.00 1.74 1.90 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.15 7.81 81 L 8.62 4.12 0.00 1.71 1.81 0.92 0.90 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 82 N 7.66 4.82 0.00 2.90 2.67 0.00 0.00 6.95 7.49 0.00 0.00 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 K 8.54 3.92 0.00 1.70 1.65 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 84 N 8.80 3.94 0.00 2.92 2.95 0.00 0.00 6.91 7.23 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 85 E 8.69 3.96 0.00 1.88 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 0.00 2.09 2.09 0.00 86 Y 8.56 4.69 0.00 2.97 2.90 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 87 F 7.53 4.61 0.00 3.00 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 88 E 8.57 4.23 0.00 2.15 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 0.00 2.27 2.30 0.00 89 D 8.69 4.41 0.00 2.81 2.76 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 0.00 0.00 0.00 90 L 8.17 4.14 0.00 1.61 1.74 0.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.78 4.17 0.00 2.64 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 * Residues marked with a * may have inaccurate shift predictions.