NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2470 8.1233 123.5930 51.4425 19.4806 179.9954 6 H 4.0965 10.1141 120.3946 54.4801 28.4989 170.6299 7 R 3.8982 9.1212 126.1681 54.7794 32.1291 174.4874 8 L 4.0979 8.1196 123.8428 54.9898 41.3460 177.8270 9 S 4.2126 9.1096 118.6187 58.1939 64.3855 174.4816 10 A 4.0372 8.7396 128.1852 55.7728 17.6252 180.6158 11 E 3.9168 8.0588 116.3765 61.4134 29.9955 182.4908 12 E 4.1919 8.1328 119.7951 59.1432 29.6068 179.5009 13 R 3.9195 8.2778 116.4498 59.4935 29.1601 178.4122 14 D 4.4636 8.1198 119.6391 56.6874 41.2932 177.6967 15 Q 4.5828 7.5243 118.1654 56.9749 29.4560 180.6962 16 L 4.7827 7.7084 117.5512 56.5100 44.0331 178.1155 17 L 4.0684 7.9716 120.3590 57.3544 41.9776 176.8416 18 P 4.2355 0.0000 0.0000 66.1074 30.9689 178.1164 19 N 4.3554 8.2007 114.2216 56.1069 38.3999 177.3988 20 L 4.0688 7.7680 119.8508 57.8206 41.8751 179.1278 21 R 4.7884 8.6464 118.5861 58.9640 29.9628 177.6886 22 A 4.0776 8.0406 120.0680 56.1199 18.4040 179.1325 23 V 3.5791 7.4531 115.0902 65.0980 31.5933 176.9642 24 G 3.8971 7.2947 104.9458 45.6958 0.0000 172.9159 25 W 4.5559 8.1706 121.3356 56.6320 30.5132 175.2065 26 N 5.4132 9.2618 119.5078 51.5551 43.0687 173.3399 27 E 4.8384 8.7712 122.1842 55.8583 31.2865 175.9911 28 L 4.6872 8.6571 126.1124 54.3687 43.4211 176.1736 29 E 4.2471 8.6957 120.1199 56.5420 30.3292 177.8309 30 G 3.9068 9.1931 110.9784 45.7171 0.0000 173.0817 31 R 4.5064 7.4233 118.0823 54.5132 33.2771 174.9448 32 D 5.2447 8.8420 124.0576 52.7034 39.9705 174.1804 33 A 5.0423 7.9261 124.8419 50.7092 22.9004 174.5002 34 I 5.1963 8.4752 112.7834 59.4472 40.8674 174.4635 35 F 6.2232 9.7419 127.4018 57.1219 43.7828 174.0710 36 K 3.6237 6.6532 122.5970 53.9270 35.5983 175.3668 37 Q 4.4985 7.7283 124.8057 54.3361 29.8388 175.3480 38 F 4.5517 9.0921 121.8084 55.7563 42.6522 173.8038 39 H 5.0843 8.0531 120.5048 54.5747 32.7432 172.0300 40 F 4.7622 8.4891 123.0861 55.2692 42.3117 175.0871 41 K 4.0546 8.8740 120.1143 59.4813 32.2192 176.2554 42 D 4.2119 7.4616 116.5492 50.7634 43.3268 175.4830 43 F 4.5258 7.7801 121.5444 60.8954 39.1774 176.1936 44 N 4.2232 8.2647 115.4253 56.5625 38.2824 177.3121 45 R 3.7144 8.8829 119.0498 59.1028 29.9635 178.7170 46 A 3.1159 7.4294 119.1736 55.1963 18.4083 179.2982 47 F 3.6310 8.1215 118.0426 60.3280 39.5838 177.4995 48 G 3.6369 7.7347 105.9189 47.5024 0.0000 175.8823 49 F 4.1017 7.7878 119.7122 59.2195 39.1090 176.6339 *51 T 4.0418 7.7893 114.7724 63.3428 70.5304 176.3639 52 R 3.8948 7.9311 120.1186 59.4406 30.0037 179.2284 53 V 3.6119 7.7454 117.7096 65.9418 31.4145 177.8419 54 A 3.9424 7.8732 119.9496 55.1875 18.2774 179.4029 55 L 3.8699 7.8682 117.4833 57.9879 41.6560 179.6201 56 Q 3.5196 7.6640 118.7813 58.7171 28.7350 177.8940 57 A 3.9049 7.7573 123.4412 54.2529 18.0520 179.3174 58 E 3.7696 7.6206 116.9907 59.4891 29.8776 178.9065 59 K 4.0033 7.4679 116.6840 59.1075 32.1469 178.6155 60 L 4.1637 7.8110 117.2515 54.1615 41.9841 176.1630 61 D 4.3258 7.7001 117.0616 55.1151 39.9493 172.4073 62 H 4.8593 7.7148 114.7801 54.0460 32.7601 171.4077 63 H 4.6415 8.3093 122.8547 53.0397 31.7306 171.6804 64 P 4.3600 0.0000 0.0000 62.5931 32.8500 175.9254 65 E 4.7009 9.0920 121.4779 54.6083 30.0454 174.8885 66 W 5.8295 8.9654 120.7040 54.4714 31.6606 174.5358 67 F 5.1730 9.6301 123.7514 56.5509 41.8751 173.1235 68 N 5.2778 8.3163 123.7603 51.7628 41.8726 174.0025 69 V 4.0879 8.2515 124.7457 61.5298 34.7004 176.9383 70 Y 3.9050 9.1287 133.0792 58.5659 38.0971 170.5561 71 N 4.6189 9.5641 120.2576 53.0724 39.1684 175.2820 72 K 5.0387 8.1503 123.9648 53.8290 34.5139 180.8779 73 V 4.7763 8.8972 123.9607 61.0195 34.7014 173.7033 74 H 5.4008 9.6194 126.7952 54.6402 30.7098 174.3270 75 I 5.3654 8.7772 124.3252 59.9565 40.3323 174.7829 76 T 5.5598 9.4992 122.8261 61.9290 72.1056 172.9256 77 L 5.0596 9.0407 125.9655 52.9444 45.4030 175.8079 78 S 4.9171 7.9384 115.7382 58.7747 65.7878 175.6728 79 T 4.5825 8.0784 110.5468 59.9426 70.0309 173.4256 80 H 3.9046 8.6956 123.8772 59.4544 29.6200 175.9282 81 E 4.3570 7.9748 121.7400 55.0923 28.9540 177.7421 82 C 5.7183 8.5575 129.9489 60.1455 32.6889 172.4565 83 A 3.7195 8.7268 122.7931 50.6490 15.7898 176.3482 84 G 4.5486 6.9542 107.0620 44.2752 0.0000 169.5197 85 L 4.5179 8.0297 119.1878 54.7310 42.4647 176.5358 86 S 4.6790 8.1275 119.1024 57.9990 67.2822 174.8098 87 E 4.5001 8.4170 115.9752 55.3947 28.4579 172.5930 88 R 4.7039 7.3562 119.6879 56.8404 37.7400 177.7584 89 D 4.2805 7.9919 117.4995 57.3369 41.1543 178.3939 90 I 3.5119 7.5269 119.7991 64.2977 37.2558 177.7464 91 N 4.2534 8.0314 116.7665 56.4562 38.3947 176.9012 92 L 3.9180 8.2048 121.4744 58.1211 42.1622 178.8893 93 A 3.8721 8.0273 120.7225 55.2234 18.2248 179.7356 94 S 4.1109 8.1167 113.6505 61.8080 62.9576 176.7938 95 F 4.0374 8.2484 123.0885 61.2970 39.1242 177.1756 96 I 3.9053 8.3540 119.7140 64.5905 36.8298 178.2894 97 E 4.4340 8.7713 121.9635 60.0665 29.0646 179.9674 98 Q 3.9923 7.7289 120.0993 60.0468 28.2513 181.1418 99 V 3.8791 7.6134 119.7291 66.3449 31.4577 177.1035 100 A 4.0527 8.7120 118.4981 55.4130 18.0767 179.6010 101 V 3.9368 7.8116 111.2220 63.1808 32.5865 177.5904 102 S 4.3213 7.3443 114.4834 57.3587 61.9257 174.2516 *104 T 4.1337 8.1520 122.7248 64.1371 68.5926 174.2238 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 5 A 8.12 4.25 1.15 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 0.00 0.00 6 H 10.11 4.10 0.00 3.35 3.49 0.00 6.03 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 9.12 3.90 0.00 1.88 1.91 0.00 3.51 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 8 L 8.12 4.10 0.00 1.68 1.67 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.11 4.21 0.00 3.87 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 10 A 8.74 4.04 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 11 E 8.06 3.92 0.00 1.99 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 2.31 1.97 0.00 12 E 8.13 4.19 0.00 2.13 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 2.39 2.36 0.00 13 R 8.28 3.92 0.00 2.06 2.19 0.00 2.83 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 14 D 8.12 4.46 0.00 2.93 2.91 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 15 Q 7.52 4.58 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 16 L 7.71 4.78 0.00 1.64 1.66 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.97 4.07 0.00 1.77 1.92 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.24 0.00 2.20 2.13 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 19 N 8.20 4.36 0.00 2.73 2.89 0.00 0.00 7.07 6.74 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 20 L 7.77 4.07 0.00 1.78 1.51 0.57 0.66 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 21 R 8.65 4.79 0.00 1.83 2.02 0.00 3.17 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 22 A 8.04 4.08 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 23 V 7.45 3.58 2.23 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 0.86 0.00 0.00 1.04 0.00 0.00 24 G 7.29 3.90 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 0.00 0.00 0.00 25 W 8.17 4.56 0.00 3.37 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 26 N 9.26 5.41 0.00 2.74 2.73 0.00 0.00 6.62 7.28 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 27 E 8.77 4.84 0.00 2.16 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 2.39 2.45 0.00 28 L 8.66 4.69 0.00 1.77 1.60 0.91 0.96 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 29 E 8.70 4.25 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 2.36 2.37 0.00 30 G 9.19 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 31 R 7.42 4.51 0.00 1.84 1.76 0.00 3.25 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 32 D 8.84 5.24 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.93 5.04 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 34 I 8.48 5.20 2.19 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.44 0.96 0.00 0.00 35 F 9.74 6.22 0.00 3.16 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.65 3.62 0.00 1.43 1.60 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.77 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.31 1.00 7.81 37 Q 7.73 4.50 0.00 1.71 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 38 F 9.09 4.55 0.00 3.02 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 39 H 8.05 5.08 0.00 3.02 2.90 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.49 4.76 0.00 2.73 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 41 K 8.87 4.05 0.00 1.74 1.84 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 42 D 7.46 4.21 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.53 0.00 2.94 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 44 N 8.26 4.22 0.00 2.95 2.83 0.00 0.00 7.09 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 45 R 8.88 3.71 0.00 1.83 1.84 0.00 3.31 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 1.78 1.79 0.00 46 A 7.43 3.12 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 47 F 8.12 3.63 0.00 1.90 2.63 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 48 G 7.73 3.64 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 0.00 0.00 0.00 49 F 7.79 4.10 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 *51 T 7.79 4.04 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 1.18 0.00 0.00 52 R 7.93 3.89 0.00 1.94 2.08 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 53 V 7.75 3.61 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 0.88 0.00 0.00 0.30 0.00 0.00 54 A 7.87 3.94 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 0.00 0.00 0.00 0.00 0.00 55 L 7.87 3.87 0.00 1.84 1.67 0.91 0.64 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 56 Q 7.66 3.52 0.00 0.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.84 0.00 57 A 7.76 3.90 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.62 3.77 0.00 1.96 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 0.00 2.28 2.32 0.00 59 K 7.47 4.00 0.00 1.73 1.76 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.56 7.81 60 L 7.81 4.16 0.00 1.48 1.62 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.70 4.33 0.00 2.73 2.66 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 0.00 0.00 0.00 62 H 7.71 4.86 0.00 3.08 2.96 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.31 4.64 0.00 2.97 2.96 0.00 5.94 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.36 0.00 1.59 1.67 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.47 0.00 65 E 9.09 4.70 0.00 2.26 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 0.00 2.31 2.27 0.00 66 W 8.97 5.83 0.00 3.35 3.27 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 67 F 9.63 5.17 0.00 3.16 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 68 N 8.32 5.28 0.00 2.53 2.48 0.00 0.00 6.83 7.71 0.00 0.00 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 V 8.25 4.09 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 0.96 0.00 0.00 0.60 0.00 0.00 70 Y 9.13 3.90 0.00 3.20 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.56 4.62 0.00 2.84 2.59 0.00 0.00 5.94 7.50 0.00 0.00 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 K 8.15 5.04 0.00 1.47 1.70 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.71 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.23 7.81 73 V 8.90 4.78 2.44 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 1.28 0.00 0.00 1.05 0.00 0.00 74 H 9.62 5.40 0.00 3.60 3.95 0.00 5.62 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.78 5.37 2.27 0.00 0.00 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 1.81 1.20 1.26 0.00 0.00 76 T 9.50 5.56 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 77 L 9.04 5.06 0.00 1.74 1.58 0.78 0.59 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 78 S 7.94 4.92 0.00 3.90 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 79 T 8.08 4.58 4.28 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 1.24 0.00 0.00 80 H 8.70 3.90 0.00 3.26 3.35 0.00 5.83 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.97 4.36 0.00 2.06 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 0.00 2.30 2.41 0.00 82 C 8.56 5.72 0.00 3.02 3.02 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 83 A 8.73 3.72 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 84 G 6.95 4.55 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 85 L 8.03 4.52 0.00 1.71 1.56 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.13 4.68 0.00 3.76 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.50 0.00 1.99 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 2.23 1.90 0.00 88 R 7.36 4.70 0.00 1.46 1.49 0.00 2.95 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 89 D 7.99 4.28 0.00 2.66 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 90 I 7.53 3.51 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.25 0.84 0.00 0.00 91 N 8.03 4.25 0.00 2.84 2.83 0.00 0.00 6.73 6.74 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 92 L 8.20 3.92 0.00 1.77 1.67 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.03 3.87 0.59 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 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.12 4.11 0.00 4.08 3.95 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 95 F 8.25 4.04 0.00 3.13 3.17 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 96 I 8.35 3.91 2.45 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 1.24 0.00 0.00 97 E 8.77 4.43 0.00 2.33 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 0.00 3.01 2.79 0.00 98 Q 7.73 3.99 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 99 V 7.61 3.88 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.60 0.00 0.00 100 A 8.71 4.05 1.48 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 0.00 0.00 0.00 101 V 7.81 3.94 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 0.88 0.00 0.00 1.02 0.00 0.00 102 S 7.34 4.32 0.00 4.03 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 0.00 *104 T 8.15 4.13 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.