NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0701 8.0244 114.2687 60.8593 38.8433 175.0200 4 R 4.1673 8.1528 123.3685 54.2736 32.1429 172.2061 5 P 4.3194 0.0000 0.0000 62.6972 33.3908 176.1949 6 L 4.4683 8.2345 125.9162 54.2095 40.6435 172.3031 7 H 4.0895 8.5708 121.6111 55.9349 30.4544 175.7817 8 D 4.7951 9.2228 122.8412 55.2000 41.9460 174.0739 9 R 4.6875 7.3978 116.7999 55.9290 31.8773 175.8884 10 V 4.7242 9.0378 121.1709 61.3255 35.5929 173.8745 11 I 4.9616 8.8532 127.6863 59.7241 39.8020 175.1346 12 V 5.0217 8.8054 119.3195 59.3806 36.5182 174.5683 13 K 4.5924 8.7233 122.5030 56.1654 34.2491 176.2304 14 R 4.4395 8.4742 123.3239 56.4299 31.0831 176.4812 15 K 4.4853 8.6266 124.9951 55.3224 34.1254 176.4623 16 E 4.0093 8.7311 119.9332 57.1456 29.8409 176.7948 17 V 4.1220 8.2417 122.1196 63.2297 33.1412 175.9968 18 E 3.6240 8.9025 127.5097 57.0110 27.4348 176.1484 19 T 3.8824 7.5490 115.7311 63.8136 68.7594 175.7310 20 K 4.2743 8.8262 126.3795 57.8476 32.5596 179.0417 21 S 4.4457 7.9502 112.2639 58.8767 63.6832 175.0409 22 A 4.1609 8.0770 123.8182 52.7777 17.6034 178.4416 23 G 4.1044 7.2471 109.1229 45.6290 0.0000 175.4240 24 G 4.1143 8.7308 106.6999 45.4788 0.0000 175.2374 25 I 3.9534 8.9778 119.3636 63.5825 38.4623 177.1019 26 V 3.7042 7.5119 120.1335 62.4509 32.0062 174.5276 27 L 4.3879 8.3332 128.7494 54.8073 43.1179 175.6701 28 T 4.5232 8.5401 119.8167 60.4771 68.6965 173.7216 29 G 3.9126 7.8495 113.4441 44.4419 0.0000 173.7909 30 S 5.0963 6.9590 120.3182 57.8947 65.9417 177.3515 31 A 4.4900 9.1353 122.1698 51.1870 21.3936 176.9402 32 A 4.0475 8.8162 118.5388 52.1460 18.0330 178.0835 33 A 4.3692 7.8606 121.8172 52.6564 20.0802 176.5877 34 K 4.3217 7.7941 116.6798 55.8079 33.8792 175.8338 35 S 4.5818 7.9002 105.6028 57.7150 65.8888 176.0276 36 T 3.5168 8.0077 118.1462 63.3220 70.2306 174.0465 37 R 4.7928 7.8837 122.7451 55.1121 31.7429 175.8189 38 G 4.7332 9.4725 111.3368 44.4185 0.0000 171.2295 39 E 5.1498 8.9703 120.3219 54.5619 33.1563 174.2397 40 V 4.0131 9.0429 128.3991 62.9487 32.2709 176.1461 41 L 4.5118 8.7978 127.3657 56.1171 43.7384 177.1795 42 A 4.5634 7.6357 119.0124 50.7565 22.5346 175.3570 43 V 4.4916 8.3711 122.5189 60.9101 33.8750 175.7993 44 G 3.8670 7.9283 114.2742 45.0667 0.0000 173.4880 45 N 4.7123 8.1809 117.4143 51.4386 36.0080 176.6800 46 G 3.6478 8.4891 115.7553 46.1452 0.0000 175.2298 47 R 4.6077 8.5904 127.4169 55.8410 31.3100 173.5824 48 I 4.3119 7.8309 128.2553 59.9084 35.7512 175.2903 49 L 4.6761 7.3439 122.7112 54.1037 46.1297 177.5139 50 E 3.8606 9.1295 118.3149 55.9527 27.6402 176.3692 51 N 4.5079 8.0116 116.4610 54.2175 40.1832 175.2146 52 G 3.7609 7.7639 107.8267 45.1961 0.0000 172.8085 53 E 3.7414 7.9633 123.0982 55.1090 29.3873 174.6729 54 V 3.7201 8.0663 119.1551 63.2951 31.8954 175.9608 55 K 4.3969 8.9834 127.5386 55.6523 33.3764 175.0305 56 P 4.8870 0.0000 0.0000 62.5095 32.7735 175.0899 57 L 4.9241 8.2913 118.6883 53.1167 44.6394 176.1894 58 D 4.6898 9.2785 120.4881 55.0859 42.4613 177.5840 59 V 3.9243 7.5969 111.3891 60.8816 32.4342 174.9073 60 K 4.6469 8.4868 120.0914 54.3998 35.5217 175.8245 61 V 3.7360 8.1670 119.7602 64.7435 31.4795 176.0385 62 G 4.0145 8.7544 116.0172 45.0290 0.0000 172.9424 63 D 4.6481 7.9542 119.3687 54.1257 42.3897 175.2577 64 I 4.8731 8.2341 121.7567 59.8873 38.9349 175.5360 65 V 4.7307 8.9695 120.3859 59.5654 35.6863 174.6683 66 I 4.9295 8.8905 125.5969 60.2691 38.5656 174.9709 67 F 5.4901 8.6556 121.3194 55.0210 41.4407 173.5339 68 N 4.5958 9.2067 119.7359 52.3603 39.5557 174.6016 69 D 4.7634 8.5986 127.3594 54.6571 41.7021 176.1311 70 G 4.0519 7.9389 107.3678 44.0040 0.0000 174.4039 71 Y 4.1027 8.6282 119.4881 59.6228 38.4769 177.3599 72 G 3.6012 8.1372 108.3959 48.4080 0.0000 173.3200 73 V 3.9715 7.9144 121.0333 62.8860 31.9772 175.6818 74 K 4.6695 8.9295 128.1241 54.7368 35.8861 174.2956 75 S 5.2238 8.1093 114.3911 57.8996 66.1685 172.2116 76 E 4.7077 8.5482 118.5621 55.3713 34.5255 174.9348 77 K 4.9116 8.9414 123.3632 55.0766 34.1666 175.6193 78 I 4.2027 8.5784 129.9971 60.3929 37.9226 176.4496 79 D 4.3718 9.6295 123.4179 54.3982 38.8661 172.9632 80 N 4.1214 8.0911 115.6096 53.4077 37.7468 174.0882 81 E 4.3506 8.3919 118.2906 56.3184 30.5366 175.2645 82 E 4.8182 8.3742 120.0237 56.0966 31.0685 176.5833 83 V 4.4760 8.8065 116.4262 59.4428 35.5157 175.1043 84 L 4.5935 8.6952 125.4519 54.6083 43.3423 176.2339 85 I 5.0033 8.6452 123.3165 59.9328 40.7759 174.2917 86 M 5.3063 8.7370 124.2411 52.2284 35.1142 174.7896 87 S 4.9712 8.2673 112.2965 56.6970 64.8983 174.8225 88 E 3.9542 8.5803 123.0640 59.0121 29.4412 179.0142 89 S 4.2284 8.0853 111.8711 60.3606 63.2150 174.3880 90 D 4.7096 8.3059 120.6598 54.7878 41.4022 176.1447 91 I 4.6757 7.7543 121.1323 60.6339 38.1829 174.7064 92 L 4.4888 8.5702 123.5776 55.5330 43.6860 176.3866 93 A 4.4310 7.1308 117.9633 51.8720 21.6581 174.6344 94 I 4.6797 8.1262 121.7993 60.1860 40.6323 177.2770 *95 V 3.9215 8.2650 118.7064 61.1782 32.1549 176.0428 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 4.07 1.86 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 1.28 1.11 0.90 0.00 0.00 4 R 8.15 4.17 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 5 P 0.00 4.32 0.00 2.32 1.92 0.00 3.80 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 2.16 2.04 0.00 6 L 8.23 4.47 0.00 1.58 1.56 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.57 4.09 0.00 3.56 3.41 0.00 5.88 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 9.22 4.80 0.00 2.93 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 9 R 7.40 4.69 0.00 1.73 1.77 0.00 3.23 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 10 V 9.04 4.72 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 0.92 0.00 0.00 0.90 0.00 0.00 11 I 8.85 4.96 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 1.18 0.63 0.90 0.00 0.00 12 V 8.81 5.02 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 0.62 0.00 0.00 0.67 0.00 0.00 13 K 8.72 4.59 0.00 1.83 1.92 0.00 1.30 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.61 1.39 7.81 14 R 8.47 4.44 0.00 1.92 1.92 0.00 3.35 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 15 K 8.63 4.49 0.00 1.78 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.58 7.81 16 E 8.73 4.01 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 2.32 2.25 0.00 17 V 8.24 4.12 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 0.85 0.00 0.00 0.95 0.00 0.00 18 E 8.90 3.62 0.00 2.04 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 2.26 2.30 0.00 19 T 7.55 3.88 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 1.21 0.00 0.00 20 K 8.83 4.27 0.00 1.86 1.91 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.62 7.81 21 S 7.95 4.45 0.00 3.99 4.10 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 0.00 0.00 0.00 22 A 8.08 4.16 1.36 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 23 G 7.25 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.73 4.11 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 0.00 25 I 8.98 3.95 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 0.60 0.91 0.00 0.00 26 V 7.51 3.70 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 8.33 4.39 0.00 1.64 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.54 4.52 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 7.85 3.91 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 0.00 0.00 0.00 30 S 6.96 5.10 0.00 3.90 3.79 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 31 A 9.14 4.49 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 32 A 8.82 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.37 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 34 K 7.79 4.32 0.00 1.78 1.50 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.46 7.81 35 S 7.90 4.58 0.00 3.83 3.67 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 36 T 8.01 3.52 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 1.02 0.00 0.00 37 R 7.88 4.79 0.00 1.84 1.93 0.00 3.06 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 38 G 9.47 4.73 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 0.00 0.00 0.00 39 E 8.97 5.15 0.00 2.02 1.77 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 2.20 2.26 0.00 40 V 9.04 4.01 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 0.87 0.00 0.00 0.96 0.00 0.00 41 L 8.80 4.51 0.00 1.64 1.66 0.88 0.82 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 42 A 7.64 4.56 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 8.37 4.49 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 0.81 0.00 0.00 0.89 0.00 0.00 44 G 7.93 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 0.00 0.00 0.00 45 N 8.18 4.71 0.00 2.67 2.81 0.00 0.00 7.01 7.81 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 46 G 8.49 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 47 R 8.59 4.61 0.00 1.79 1.93 0.00 3.10 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 48 I 7.83 4.31 1.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.23 0.84 0.00 0.00 49 L 7.34 4.68 0.00 1.64 1.49 0.94 0.97 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 50 E 9.13 3.86 0.00 2.21 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 0.00 2.27 2.28 0.00 51 N 8.01 4.51 0.00 2.80 2.97 0.00 0.00 7.11 9.12 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 52 G 7.76 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 0.00 0.00 0.00 53 E 7.96 3.74 0.00 2.11 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 2.20 2.33 0.00 54 V 8.07 3.72 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 0.78 0.00 0.00 0.90 0.00 0.00 55 K 8.98 4.40 0.00 1.82 1.71 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.53 7.81 56 P 0.00 4.89 0.00 2.07 2.07 0.00 3.70 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 1.99 0.00 57 L 8.29 4.92 0.00 1.61 1.65 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.28 4.69 0.00 2.55 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 59 V 7.60 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 0.79 0.00 0.00 0.92 0.00 0.00 60 K 8.49 4.65 0.00 1.91 1.86 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.54 1.33 7.81 61 V 8.17 3.74 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 0.87 0.00 0.00 0.97 0.00 0.00 62 G 8.75 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 7.95 4.65 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.87 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 0.58 1.00 0.00 0.00 65 V 8.97 4.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.02 0.00 0.00 66 I 8.89 4.93 1.96 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 1.29 0.89 0.87 0.00 0.00 67 F 8.66 5.49 0.00 3.05 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 9.21 4.60 0.00 2.74 3.06 0.00 0.00 7.11 8.12 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 69 D 8.60 4.76 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 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 0.00 0.00 0.00 71 Y 8.63 4.10 0.00 2.92 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 72 G 8.14 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.97 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 0.78 0.00 0.00 1.14 0.00 0.00 74 K 8.93 4.67 0.00 1.60 1.61 0.00 1.47 0.00 0.00 1.32 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.49 1.38 7.81 75 S 8.11 5.22 0.00 3.78 3.67 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 76 E 8.55 4.71 0.00 1.88 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 2.18 2.34 0.00 77 K 8.94 4.91 0.00 1.67 1.68 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.50 7.81 78 I 8.58 4.20 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 0.38 0.90 0.00 0.00 79 D 9.63 4.37 0.00 2.82 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 80 N 8.09 4.12 0.00 2.73 3.12 0.00 0.00 7.11 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 8.39 4.35 0.00 2.26 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 8.37 4.82 0.00 1.85 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 2.29 2.28 0.00 83 V 8.81 4.48 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 0.84 0.00 0.00 0.90 0.00 0.00 84 L 8.70 4.59 0.00 1.68 1.38 0.92 0.54 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 85 I 8.65 5.00 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 0.85 0.00 0.00 86 M 8.74 5.31 0.00 1.87 2.08 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 87 S 8.27 4.97 0.00 4.13 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 88 E 8.58 3.95 0.00 2.03 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 2.32 2.26 0.00 89 S 8.09 4.23 0.00 4.03 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 90 D 8.31 4.71 0.00 2.92 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 91 I 7.75 4.68 2.00 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 1.33 0.50 0.96 0.00 0.00 92 L 8.57 4.49 0.00 1.69 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.13 4.43 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 94 I 8.13 4.68 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 1.49 0.74 0.97 0.00 0.00 *95 V 8.27 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.