NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.5086 8.4293 120.3858 55.7709 30.8360 172.9315 -1 H 3.9323 8.4138 122.4894 55.3094 28.7878 172.9212 -1 M 3.6823 8.2738 123.8894 55.7094 32.6878 175.1213 2 E 4.5453 8.0909 118.3149 55.1771 32.5478 177.1469 3 T 4.2474 8.6445 114.1641 60.4771 71.1309 173.9339 4 P 4.2222 0.0000 0.0000 66.1817 31.4382 178.8452 5 L 3.9834 7.9391 116.7679 57.7422 41.3149 179.0674 6 D 4.4373 8.0047 118.0772 57.6724 41.2509 178.7470 7 L 4.0957 8.0679 119.1755 57.6191 41.4910 179.3805 8 L 3.8316 7.9378 120.4495 57.8458 41.8907 178.8000 9 K 4.2002 8.0897 118.1161 59.9442 31.8193 178.8222 10 L 4.1121 7.6787 117.4729 56.9735 41.7265 178.1563 11 N 4.7148 8.3604 115.7321 52.1041 38.9678 174.8945 12 L 4.2059 7.3607 121.7995 56.2487 42.0960 176.9405 13 D 4.5409 9.2370 121.5175 54.5831 40.8767 173.1271 14 E 4.7186 8.1287 117.6295 55.1702 32.1100 175.6353 15 R 4.7098 8.4583 121.0759 56.5162 31.0316 176.6358 16 V 4.7222 8.9140 121.8984 60.2134 35.5980 173.2682 17 Y 5.2181 9.4599 124.2117 55.9649 41.5020 174.1295 18 I 4.8634 8.3770 127.3644 59.2335 40.6058 174.2513 19 K 4.7487 8.6297 127.7792 54.6898 34.9642 175.3149 20 L 4.9454 8.7138 127.1698 52.4660 45.0414 175.3902 21 R 3.8837 8.4122 117.7918 57.8203 31.0984 177.6851 22 G 4.2966 9.4085 109.4902 46.5060 0.0000 173.0929 23 A 3.6936 7.8081 118.6290 52.8023 16.8175 178.7435 24 R 4.6453 7.6065 118.1763 56.8844 31.7497 176.1618 25 T 4.9788 8.6581 112.4953 59.9516 72.1662 172.8276 26 L 5.2171 8.4706 121.8929 53.1313 46.6021 175.5769 27 V 4.7877 8.6870 121.3645 61.1119 35.2569 174.7879 28 G 4.1943 8.2778 112.7353 46.3733 0.0000 171.7251 29 T 4.8208 8.4830 117.4410 62.5073 69.9017 174.6444 30 L 4.2706 8.7571 129.7629 55.6376 42.4380 176.9527 31 Q 4.6420 9.0211 125.5010 57.2868 30.7947 175.7518 32 A 4.7764 7.8108 118.0149 51.2172 22.6677 175.0890 33 F 5.9137 8.1303 112.7718 57.0988 41.0024 172.9707 34 D 5.0713 8.4419 118.9272 51.5809 42.1177 176.0619 35 S 4.2866 8.5606 112.0780 61.3641 63.1135 174.4984 36 H 4.4647 8.2580 117.3063 56.1289 28.8134 175.8949 37 C 3.8401 8.4943 119.6379 59.3966 30.7722 172.0401 38 N 4.6014 8.0988 115.0617 53.8982 39.2765 173.9100 39 I 5.1825 8.0567 121.6304 59.6221 42.1784 174.2731 40 V 4.9375 8.6174 124.6538 61.1559 34.5287 174.2936 41 L 5.4345 8.9055 127.0343 52.9910 45.2767 175.5679 42 S 5.0584 8.8536 116.0609 56.3709 66.5901 173.0653 43 D 4.3904 8.1769 116.8210 55.4190 38.8049 174.1297 44 A 4.6875 7.9169 119.6085 51.4517 21.0501 178.2343 45 V 4.6397 8.8978 119.7905 61.0324 34.2142 174.4872 46 E 4.5415 9.1833 130.2143 56.0997 31.1298 175.1541 47 T 4.7168 8.1367 122.0665 62.2566 70.3537 174.2219 48 I 4.3278 8.0897 126.7005 59.7190 39.5135 174.1854 49 Y 4.8126 8.5070 124.5932 56.7725 40.2164 174.7408 50 Q 4.7081 8.8691 120.8060 54.1170 33.5613 174.0124 51 L 5.0683 8.3667 122.2152 53.4995 45.5724 175.5811 52 N 4.7094 8.7292 124.4928 53.2942 41.8678 173.6801 53 N 3.9294 8.4442 126.2207 54.9649 37.6068 176.9935 54 E 4.2280 8.7996 124.8260 58.9882 29.6356 177.5956 55 E 4.3074 7.8591 120.0938 55.9182 27.0439 175.3253 56 L 5.2960 7.9265 122.5759 54.4560 40.7119 176.9416 57 S 4.6604 7.8691 118.9131 58.3932 66.5034 172.3651 58 E 5.0776 8.0536 117.2847 56.2925 32.9987 176.0434 59 S 4.5869 8.8700 119.9221 57.4509 66.8622 171.5840 60 E 4.9791 8.6628 117.9132 54.9189 32.6286 175.3752 61 R 4.4865 8.9237 125.0680 54.5536 32.5098 174.0960 62 R 5.0982 8.5935 127.4423 55.0949 31.5926 174.9252 63 C 4.7740 8.9163 119.8771 56.6106 33.3636 174.4424 64 E 4.0220 8.9511 121.4130 59.7118 30.3258 176.3071 65 M 5.2043 7.6104 115.8468 54.4455 35.5597 174.0929 66 V 4.4862 8.7007 125.0333 61.1230 35.1009 173.5630 67 F 5.1159 9.0609 130.1639 56.8033 40.9197 174.4341 68 I 4.3447 8.4715 128.2699 59.2578 39.6803 175.1875 69 R 4.2175 8.5954 127.7630 55.6748 31.0327 176.6805 70 G 4.1824 9.9365 115.6761 48.0293 0.0000 174.6442 71 D 4.5351 8.0509 117.4825 53.1766 39.5643 176.7180 72 T 4.3880 7.6569 109.2662 61.8662 70.0646 174.1325 73 V 4.0386 7.6435 123.8772 63.0951 31.8960 175.1983 74 T 4.5367 8.7510 117.5877 62.4298 70.9000 174.8175 75 L 4.8340 7.6370 120.1060 53.0220 46.5864 175.2698 76 I 5.1122 8.4024 122.5632 59.6181 40.1157 174.8739 77 S 4.9934 9.5790 121.7396 56.3629 66.5687 173.7792 78 T 4.4992 8.4032 110.9538 60.6229 69.7450 172.5134 79 P 4.4442 0.0000 0.0000 62.8152 32.2066 178.0324 80 S 4.0655 8.0943 115.6481 58.1330 64.3741 173.2590 *86 A 4.0922 8.1504 118.1984 52.6902 19.1873 176.9428 87 V 4.2381 7.4284 120.5053 60.8697 33.8201 175.1572 88 E 4.3284 8.4179 128.3070 54.5896 28.4847 175.4002 89 I 3.9073 7.9734 123.8384 60.8382 38.0794 175.5900 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 -2 H 8.43 4.51 0.00 3.10 3.24 0.00 5.72 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 -1 H 8.41 3.93 0.00 3.32 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 M 8.27 3.68 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 2 E 8.09 4.55 0.00 1.95 1.83 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 2.12 2.10 0.00 3 T 8.64 4.25 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 4 P 0.00 4.22 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 5 L 7.94 3.98 0.00 1.75 1.89 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.00 4.44 0.00 2.95 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 L 8.07 4.10 0.00 1.83 1.69 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.94 3.83 0.00 1.50 1.42 0.68 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.09 4.20 0.00 2.23 1.97 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.70 7.81 10 L 7.68 4.11 0.00 1.76 1.74 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.36 4.71 0.00 2.83 2.83 0.00 0.00 6.82 6.35 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 12 L 7.36 4.21 0.00 1.78 1.68 0.98 1.08 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 13 D 9.24 4.54 0.00 2.76 2.81 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 14 E 8.13 4.72 0.00 2.09 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 2.27 2.43 0.00 15 R 8.46 4.71 0.00 1.71 1.89 0.00 3.34 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 16 V 8.91 4.72 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 0.73 0.00 0.00 0.93 0.00 0.00 17 Y 9.46 5.22 0.00 3.06 2.74 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 18 I 8.38 4.86 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.53 0.81 0.00 0.00 19 K 8.63 4.75 0.00 1.70 1.59 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.34 7.81 20 L 8.71 4.95 0.00 1.54 1.70 0.90 0.76 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 21 R 8.41 3.88 0.00 1.72 1.87 0.00 3.43 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 22 G 9.41 4.30 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 0.00 23 A 7.81 3.69 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 24 R 7.61 4.65 0.00 1.81 1.96 0.00 3.08 0.00 0.00 3.37 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.33 0.00 25 T 8.66 4.98 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 1.14 0.00 0.00 26 L 8.47 5.22 0.00 1.51 1.47 0.87 0.59 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 27 V 8.69 4.79 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 0.86 0.00 0.00 1.07 0.00 0.00 28 G 8.28 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 29 T 8.48 4.82 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 1.21 0.00 0.00 30 L 8.76 4.27 0.00 1.82 1.78 1.11 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 9.02 4.64 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.41 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 32 A 7.81 4.78 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 33 F 8.13 5.91 0.00 3.05 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 34 D 8.44 5.07 0.00 2.87 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 35 S 8.56 4.29 0.00 3.99 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 36 H 8.26 4.46 0.00 3.29 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.49 3.84 0.00 3.18 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 38 N 8.10 4.60 0.00 2.81 2.32 0.00 0.00 6.78 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 39 I 8.06 5.18 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.26 0.88 0.00 0.00 40 V 8.62 4.94 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 1.18 0.00 0.00 1.10 0.00 0.00 41 L 8.91 5.43 0.00 1.61 1.52 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.85 5.06 0.00 3.86 3.96 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 43 D 8.18 4.39 0.00 2.86 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 44 A 7.92 4.69 1.24 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 0.00 0.00 0.00 45 V 8.90 4.64 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 1.05 0.00 0.00 0.93 0.00 0.00 46 E 9.18 4.54 0.00 2.06 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 2.26 2.28 0.00 47 T 8.14 4.72 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 0.87 0.00 0.00 48 I 8.09 4.33 1.76 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 1.14 0.95 0.87 0.00 0.00 49 Y 8.51 4.81 0.00 2.95 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 50 Q 8.87 4.71 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 51 L 8.37 5.07 0.00 1.60 1.50 1.00 0.89 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 52 N 8.73 4.71 0.00 2.72 2.63 0.00 0.00 6.96 6.59 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 53 N 8.44 3.93 0.00 3.06 2.27 0.00 0.00 7.21 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 54 E 8.80 4.23 0.00 1.94 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 0.00 2.31 2.39 0.00 55 E 7.86 4.31 0.00 2.34 1.92 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 2.33 2.30 0.00 56 L 7.93 5.30 0.00 1.63 1.65 0.93 1.24 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 57 S 7.87 4.66 0.00 3.95 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 58 E 8.05 5.08 0.00 1.90 1.81 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 2.10 1.97 0.00 59 S 8.87 4.59 0.00 3.77 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 60 E 8.66 4.98 0.00 1.78 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 2.14 2.23 0.00 61 R 8.92 4.49 0.00 1.82 1.74 0.00 3.07 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 62 R 8.59 5.10 0.00 1.85 1.80 0.00 3.27 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 1.54 1.61 0.00 63 C 8.92 4.77 0.00 3.00 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 64 E 8.95 4.02 0.00 2.08 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 0.00 2.39 2.33 0.00 65 M 7.61 5.20 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 66 V 8.70 4.49 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 0.90 0.00 0.00 0.95 0.00 0.00 67 F 9.06 5.12 0.00 3.13 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 68 I 8.47 4.34 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.82 0.82 0.00 0.00 69 R 8.60 4.22 0.00 1.94 1.82 0.00 3.30 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.78 0.00 70 G 9.94 4.18 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 0.00 71 D 8.05 4.54 0.00 2.77 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 72 T 7.66 4.39 4.22 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 1.21 0.00 0.00 73 V 7.64 4.04 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 0.74 0.00 0.00 0.86 0.00 0.00 74 T 8.75 4.54 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 1.17 0.00 0.00 75 L 7.64 4.83 0.00 1.60 1.59 1.01 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 76 I 8.40 5.11 1.81 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.86 0.00 0.00 77 S 9.58 4.99 0.00 3.79 3.94 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 78 T 8.40 4.50 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 1.24 0.00 0.00 79 P 0.00 4.44 0.00 1.94 2.03 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 80 S 8.09 4.07 0.00 3.86 3.76 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 *86 A 8.15 4.09 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 87 V 7.43 4.24 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 0.82 0.00 0.00 0.93 0.00 0.00 88 E 8.42 4.33 0.00 1.95 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 2.22 2.27 0.00 89 I 7.97 3.91 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 1.27 0.93 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.