NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0901 8.2644 123.5835 51.8451 19.5196 174.1518 2 K 3.5284 7.5886 126.7460 54.5941 30.3513 174.3245 3 Q 3.8893 8.7423 126.6617 59.2294 29.9994 177.6930 4 S 4.1677 8.1962 113.2951 62.1079 62.1241 176.1951 5 M 4.1935 7.9408 118.8075 57.6254 31.8170 178.0393 6 K 4.0985 8.7684 121.4528 58.8717 32.6312 178.3384 7 A 3.9805 7.9215 120.5600 55.0152 18.0557 179.3352 8 R 3.8421 7.7908 116.4691 59.8950 30.1644 178.6868 9 E 4.0097 8.2675 118.6588 59.1135 29.5688 178.9698 10 V 3.6424 7.6598 118.4233 65.6519 31.4677 177.9720 11 K 4.0512 7.9614 119.1539 59.3891 32.0980 178.9666 12 R 3.8936 7.5750 117.2160 59.1464 29.7899 179.1449 13 V 4.5161 8.2846 118.7026 65.8395 31.8196 177.0108 14 A 3.8899 8.7374 120.4816 53.7579 17.8535 179.3759 15 L 3.8982 7.9168 115.8887 57.1065 42.3127 179.5046 16 A 4.1074 7.7199 119.2804 54.2969 18.3344 177.6604 17 D 4.9449 8.3623 115.0546 54.1527 41.6545 177.5065 18 K 3.8240 7.8252 118.4696 59.3903 31.9264 176.6954 19 Y 4.2598 7.4941 116.1876 58.4236 38.4528 176.4140 20 F 4.1093 7.6115 121.0531 59.1511 40.6086 175.6165 21 A 4.2617 8.8803 129.6490 53.7218 18.5432 179.8195 22 K 4.5787 7.5957 118.2022 56.0392 31.8346 180.4138 23 R 3.9200 9.2995 119.5109 59.1112 29.5559 177.2525 24 A 3.7079 7.8692 119.4937 54.2881 18.5000 178.5150 25 E 4.1401 8.2088 117.1298 59.0261 29.6374 177.0942 26 L 4.1565 7.6031 120.1407 53.8424 40.1889 176.3549 27 K 4.9825 7.7897 133.6693 57.6168 32.1796 176.8991 28 A 4.0948 7.4273 122.8766 54.9347 18.8368 178.8874 29 I 3.8446 7.7421 114.7318 64.6021 37.7695 178.6486 30 I 3.7652 7.7316 119.4947 64.5412 37.4705 177.3794 31 S 4.6318 7.0705 114.3518 56.1128 62.1712 172.6202 32 D 4.3754 8.1363 118.9946 53.7320 44.9038 173.3128 33 V 3.6778 7.7780 124.7929 62.9997 30.5156 175.3304 34 N 5.0431 8.7400 126.1565 52.4522 40.1675 174.0705 35 A 4.6832 7.8302 122.1417 50.2262 21.9558 176.4208 *40 R 3.5296 8.1282 116.0674 55.2112 30.5270 174.9035 41 W 4.3907 8.0612 119.4436 56.7445 27.5032 176.2490 42 N 4.1068 8.8085 123.3853 56.1194 38.4255 176.3614 43 A 4.1472 7.6529 119.2427 53.4886 17.8533 179.0957 44 V 3.9431 7.3502 111.3418 63.6368 32.0174 176.4727 45 L 4.3927 7.6604 126.6849 55.9373 42.6768 177.6787 46 K 4.3841 7.9369 116.7337 58.0068 34.5782 178.5666 47 L 4.0339 7.4472 116.5762 56.6684 42.4565 177.2449 48 Q 4.4114 7.7334 120.5292 56.3142 27.4219 175.8557 49 T 4.7102 7.0850 106.9544 60.7758 69.7218 174.5515 50 L 4.1557 8.4478 120.8069 54.9479 43.3652 178.8436 51 P 3.5329 0.0000 0.0000 65.4871 32.3153 175.0046 52 R 4.1671 7.7080 119.5781 56.9186 28.4755 176.7215 53 D 4.4923 7.8076 116.3452 56.2243 41.0505 177.8235 54 S 4.3440 7.3137 113.7008 55.9976 60.3480 171.7663 55 S 3.4978 7.2202 113.2129 55.8370 65.2173 175.2275 56 P 4.2139 0.0000 0.0000 65.9503 31.0483 177.7961 57 S 4.4472 7.6137 109.8890 58.5887 62.8194 174.3369 58 R 4.2676 7.4883 121.8342 57.4734 31.2210 176.5256 59 Q 4.2682 7.4757 116.5099 56.3597 29.1709 175.9711 60 R 4.1771 8.5421 117.1383 58.0897 31.7375 177.0058 61 N 4.1686 7.8919 116.2191 53.8977 34.8899 173.5646 62 R 4.3688 7.0310 118.5140 53.7542 32.6025 175.1859 63 C 4.2322 8.9543 122.4353 59.8937 31.1938 174.5348 64 R 3.9150 8.7747 128.3393 59.5261 30.1535 177.6658 65 Q 4.2223 8.2229 115.4811 58.6804 29.2423 177.0243 66 T 4.1205 8.2631 106.0935 64.8273 69.5023 174.5500 67 G 3.4128 7.7536 111.1978 43.9709 0.0000 174.0198 68 R 3.8785 7.7236 121.3811 56.6854 30.2277 174.8910 69 P 4.5013 0.0000 0.0000 63.1431 31.5913 175.0283 70 H 4.8602 7.8076 115.5539 54.3342 32.0569 174.1073 71 G 4.0928 8.9029 106.3748 46.2502 0.0000 173.6564 72 F 4.7887 7.7186 119.8384 58.1298 40.1395 174.6868 73 L 4.5083 7.1303 124.0462 52.9338 45.0701 177.2968 74 R 3.7799 8.7941 123.4903 59.3601 30.3634 177.7453 75 K 3.6107 7.6646 117.0216 59.0858 31.7179 177.0125 76 F 4.6657 7.5806 113.9916 56.2792 40.1995 176.3455 77 G 4.2225 8.1943 109.0070 46.1796 0.0000 173.2651 78 L 5.1211 7.0108 119.5919 52.4052 45.7902 175.0387 79 S 5.2564 7.9923 114.1217 57.3514 66.3779 175.9372 80 R 3.7551 8.4166 124.2299 59.9377 29.6509 177.9289 81 I 3.5888 8.2152 119.7407 64.7406 36.9942 177.6741 82 K 4.1310 8.0103 121.1412 59.6787 32.3022 178.8092 83 V 3.4561 7.7012 119.1051 65.3148 31.3524 177.4538 84 R 3.7679 8.5077 118.3207 59.6784 29.8030 178.2868 85 E 3.8777 8.2729 116.9350 59.7630 29.8821 179.2101 86 A 4.0876 7.9094 119.9032 55.0258 18.2231 179.4646 87 A 4.0734 8.1100 118.8273 55.3704 18.4013 178.8525 88 M 4.4767 7.6138 114.4874 55.7179 31.9079 176.8748 89 R 4.6521 7.6414 116.0879 55.5631 33.7781 176.2728 90 G 3.6982 8.6919 111.4811 44.8890 0.0000 174.0192 91 E 3.7164 8.9349 118.8845 57.3478 29.3093 174.9361 92 I 4.1263 7.0785 126.7180 59.4423 36.7313 173.9031 93 P 4.3465 0.0000 0.0000 63.6741 31.6506 177.8227 94 G 3.8922 8.7222 108.7025 45.6643 0.0000 172.9489 95 L 4.5348 7.4770 122.2037 53.2101 42.9293 175.4855 96 K 4.5061 8.0677 123.4484 55.3667 35.2747 175.3680 97 K 4.0055 8.5339 119.1741 56.3802 31.8227 177.3000 98 A 4.6466 8.2763 127.6120 51.0357 20.6775 175.4665 99 S 4.6428 8.3470 111.2221 58.3783 64.8464 176.5203 100 W 4.4550 7.9938 117.7750 57.3375 27.2359 174.1937 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 1 A 8.26 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 2 K 7.59 3.53 0.00 2.07 1.90 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.49 7.81 3 Q 8.74 3.89 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 4 S 8.20 4.17 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 M 7.94 4.19 0.00 2.01 2.44 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 6 K 8.77 4.10 0.00 1.76 1.85 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.44 7.81 7 A 7.92 3.98 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 8 R 7.79 3.84 0.00 2.00 2.01 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 9 E 8.27 4.01 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 2.24 2.31 0.00 10 V 7.66 3.64 2.19 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 0.94 0.00 0.00 0.98 0.00 0.00 11 K 7.96 4.05 0.00 1.86 1.94 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 12 R 7.58 3.89 0.00 2.07 1.91 0.00 3.14 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 13 V 8.28 4.52 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 0.93 0.00 0.00 0.93 0.00 0.00 14 A 8.74 3.89 1.37 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 0.00 0.00 15 L 7.92 3.90 0.00 1.73 1.89 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.72 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.94 0.00 2.72 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 18 K 7.83 3.82 0.00 1.53 1.64 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.55 7.81 19 Y 7.49 4.26 0.00 3.32 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 20 F 7.61 4.11 0.00 3.16 3.11 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 21 A 8.88 4.26 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.60 4.58 0.00 1.91 1.25 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.53 7.81 23 R 9.30 3.92 0.00 2.01 2.03 0.00 3.31 0.00 0.00 3.40 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 24 A 7.87 3.71 0.10 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 25 E 8.21 4.14 0.00 2.15 2.48 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 2.43 2.36 0.00 26 L 7.60 4.16 0.00 1.81 1.69 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.79 4.98 0.00 1.97 1.99 0.00 1.36 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.13 1.23 7.81 28 A 7.43 4.09 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 29 I 7.74 3.84 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 1.43 0.81 0.95 0.00 0.00 30 I 7.73 3.77 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 1.47 0.45 0.95 0.00 0.00 31 S 7.07 4.63 0.00 4.10 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 32 D 8.14 4.38 0.00 2.72 2.52 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 0.00 33 V 7.78 3.68 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 0.85 0.00 0.00 0.91 0.00 0.00 34 N 8.74 5.04 0.00 2.89 2.86 0.00 0.00 6.71 6.87 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 35 A 7.83 4.68 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 0.00 0.00 0.00 0.00 0.00 *40 R 8.13 3.53 0.00 1.27 1.40 0.00 2.35 0.00 0.00 2.59 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 8.06 4.39 0.00 3.58 3.36 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 42 N 8.81 4.11 0.00 2.82 2.87 0.00 0.00 6.99 8.53 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 43 A 7.65 4.15 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 44 V 7.35 3.94 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 0.92 0.00 0.00 45 L 7.66 4.39 0.00 1.57 1.62 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.94 4.38 0.00 1.84 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.38 7.81 47 L 7.45 4.03 0.00 1.78 1.70 0.94 0.78 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 48 Q 7.73 4.41 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.19 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 49 T 7.08 4.71 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 1.26 0.00 0.00 50 L 8.45 4.16 0.00 1.61 0.95 0.91 0.90 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 51 P 0.00 3.53 0.00 2.01 2.19 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.08 0.00 52 R 7.71 4.17 0.00 1.95 2.12 0.00 3.11 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.38 0.00 53 D 7.81 4.49 0.00 2.68 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 54 S 7.31 4.34 0.00 3.92 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 55 S 7.22 3.50 0.00 3.05 3.29 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 56 P 0.00 4.21 0.00 2.26 2.32 0.00 3.39 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 57 S 7.61 4.45 0.00 3.99 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 58 R 7.49 4.27 0.00 1.70 1.93 0.00 3.25 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 59 Q 7.48 4.27 0.00 2.33 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.37 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 60 R 8.54 4.18 0.00 1.60 2.06 0.00 3.15 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 61 N 7.89 4.17 0.00 2.47 2.08 0.00 0.00 6.82 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 62 R 7.03 4.37 0.00 1.70 1.80 0.00 3.19 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 63 C 8.95 4.23 0.00 3.08 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 64 R 8.77 3.91 0.00 2.17 2.05 0.00 3.40 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 65 Q 8.22 4.22 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 66 T 8.26 4.12 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 1.23 0.00 0.00 67 G 7.75 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 3.88 0.00 1.94 1.91 0.00 3.12 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 69 P 0.00 4.50 0.00 2.02 2.00 0.00 3.73 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 2.01 2.08 0.00 70 H 7.81 4.86 0.00 3.17 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.90 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.72 4.79 0.00 3.01 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 73 L 7.13 4.51 0.00 1.64 1.54 1.04 0.89 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 74 R 8.79 3.78 0.00 1.70 1.95 0.00 3.47 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 75 K 7.66 3.61 0.00 1.11 0.74 0.00 1.30 0.00 0.00 1.40 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.61 0.36 7.81 76 F 7.58 4.67 0.00 3.08 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 77 G 8.19 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 0.00 0.00 0.00 0.00 78 L 7.01 5.12 0.00 1.64 1.59 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.99 5.26 0.00 3.91 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 80 R 8.42 3.76 0.00 2.07 2.17 0.00 2.81 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 81 I 8.22 3.59 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 1.64 0.57 0.91 0.00 0.00 82 K 8.01 4.13 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.46 7.81 83 V 7.70 3.46 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 0.70 0.00 0.00 0.72 0.00 0.00 84 R 8.51 3.77 0.00 1.82 2.16 0.00 3.15 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 85 E 8.27 3.88 0.00 2.07 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 0.00 2.51 2.49 0.00 86 A 7.91 4.09 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 87 A 8.11 4.07 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 88 M 7.61 4.48 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.81 0.00 89 R 7.64 4.65 0.00 1.87 1.85 0.00 3.17 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 90 G 8.69 3.70 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 0.00 0.00 0.00 91 E 8.93 3.72 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 92 I 7.08 4.13 1.79 0.00 0.00 0.38 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 1.30 0.91 0.00 0.00 93 P 0.00 4.35 0.00 2.06 2.00 0.00 3.83 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 94 G 8.72 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 95 L 7.48 4.53 0.00 1.60 1.75 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.07 4.51 0.00 1.84 1.73 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.54 7.81 97 K 8.53 4.01 0.00 1.79 1.84 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.44 7.81 98 A 8.28 4.65 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.64 0.00 3.88 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 0.00 100 W 7.99 4.46 0.00 3.38 3.13 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 * Residues marked with a * may have inaccurate shift predictions.