NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3638 8.2431 119.1253 56.7983 30.3096 174.6474 8 G 3.3493 8.0345 112.5146 43.2128 0.0000 168.3837 9 R 4.6195 7.0952 115.7467 54.7550 34.2885 172.7485 10 L 5.3287 8.6446 120.1726 54.0672 44.0307 175.5219 11 W 5.4555 8.6211 117.9881 55.5519 32.5725 173.0615 12 L 4.9336 9.1746 120.5467 52.9749 43.7432 175.5143 13 Q 4.8498 8.7906 126.4019 55.0959 30.5053 175.3493 14 S 4.9854 8.5993 122.2275 56.4324 65.0880 172.0139 15 P 4.4542 0.0000 0.0000 62.3314 31.7664 176.3451 16 T 4.0078 8.2451 116.7607 65.5452 68.5721 174.5890 17 G 4.0097 9.0757 115.0099 45.4130 0.0000 173.7920 18 G 3.8798 7.7068 107.7724 44.2014 0.0000 171.2307 19 P 4.4221 0.0000 0.0000 61.6788 31.7666 174.4352 20 P 4.5287 0.0000 0.0000 61.3119 31.9730 174.5719 21 P 4.4618 0.0000 0.0000 63.8468 31.8555 175.9804 22 I 4.4199 8.4817 125.0515 59.8735 38.7471 174.8342 23 F 4.9241 9.0030 126.2699 56.5367 40.2474 175.3673 24 L 4.7351 8.3999 122.7453 52.4629 43.1506 175.1161 25 P 4.2990 0.0000 0.0000 63.3408 31.6769 176.4116 26 S 4.6638 8.7222 116.2666 58.4654 63.5092 173.9619 27 D 4.7941 8.0236 119.6013 53.3072 39.3074 177.3085 28 G 3.9655 8.3820 106.3038 46.1940 0.0000 174.4214 29 Q 4.1121 7.8185 118.9388 55.4042 29.3162 175.9231 30 A 4.4643 8.4163 124.0221 51.8209 19.7623 176.4783 31 L 4.6037 9.0521 123.4488 53.2356 44.8083 175.3950 32 V 4.5709 8.4942 127.0361 62.0502 32.3893 174.9425 33 L 4.7463 8.8902 128.1480 52.9354 44.7299 177.0477 34 G 4.0904 7.8856 106.6096 46.1864 0.0000 172.1698 35 R 3.9064 8.5114 123.1072 55.8564 30.5212 177.5238 36 G 4.0606 7.6997 114.8888 44.7670 0.0000 171.4248 37 P 4.3166 0.0000 0.0000 65.0412 31.6668 177.7638 38 L 4.0892 8.0117 120.7813 57.7524 42.1117 177.4910 39 T 4.2044 7.8297 106.0876 61.2745 69.5370 174.6279 40 Q 3.4228 7.7126 119.7479 56.6931 27.0500 173.0702 41 V 3.8357 7.3160 118.4458 61.8681 32.1332 176.1570 42 T 4.4643 8.0682 115.7494 61.0933 69.4632 173.5587 43 D 4.4279 7.5590 123.3626 54.3535 41.4356 177.1269 44 R 4.0470 8.6329 126.2917 59.0160 30.3932 178.3347 45 K 4.0591 8.1959 117.0300 58.9683 32.1986 176.8949 46 C 4.3273 7.8114 119.9164 58.3508 31.8976 173.2323 47 S 4.3391 8.6898 121.7511 58.0652 62.7596 175.0473 48 R 4.1696 8.5865 124.4615 58.7286 29.7183 177.0205 49 N 4.8356 7.8647 116.1172 52.1820 37.4042 175.5200 50 Q 4.0931 8.2522 121.8893 57.9754 30.4292 176.2024 51 V 4.7425 8.0588 111.3944 59.4613 36.5896 173.7572 52 E 4.9719 9.2748 124.9992 54.5242 31.9868 174.4032 53 L 5.2407 9.0887 127.3465 53.1428 44.6226 175.6135 54 I 4.8831 8.7171 123.4539 59.4893 40.2760 174.7115 55 A 4.7353 8.7316 129.0437 51.4309 20.3069 176.5029 56 D 4.6863 9.1522 120.5088 51.4399 41.9706 174.3497 57 P 4.5675 0.0000 0.0000 65.3989 31.9934 178.2256 58 E 4.0824 8.3336 116.8726 59.4394 29.4117 178.2297 59 S 4.2186 7.9790 109.8860 58.3039 63.8998 173.7013 60 R 3.8002 7.6931 119.6696 57.7739 27.8031 175.0806 61 T 4.9627 7.4784 105.4147 59.9794 73.6295 173.2675 62 V 4.8469 8.4438 120.5818 61.0170 34.8208 174.1057 63 A 4.4976 8.9591 130.7712 51.7307 19.7709 176.1022 64 V 4.6454 8.9659 122.9385 61.0381 34.4450 173.9860 65 K 4.9078 8.6640 130.0414 54.7129 34.5191 174.7946 66 Q 4.5838 8.6328 128.7965 56.0929 29.6070 175.9088 67 L 4.3673 9.1170 126.6509 56.2753 43.3465 177.6321 68 G 3.9882 7.3255 101.3229 45.3118 0.0000 175.0053 69 V 3.8910 8.3889 113.7617 64.1387 31.8795 177.3640 70 N 4.6912 7.8475 115.5261 51.8887 39.5770 172.7705 71 P 4.7405 0.0000 0.0000 62.9970 32.9674 175.6607 72 S 5.1424 9.6406 119.8405 57.7091 65.6959 173.2231 73 T 4.9189 8.8006 118.3565 62.0890 71.2669 173.6440 74 V 4.2673 8.7790 128.3896 60.7163 32.5408 177.3155 75 G 3.9431 8.8894 121.1213 47.0008 0.0000 176.0785 76 V 3.8070 8.7318 118.8809 62.6908 32.0170 175.3421 77 H 4.9686 7.8529 117.9769 53.7550 30.4622 172.7647 78 E 4.8608 8.6881 125.2599 55.3734 30.4055 175.9005 79 L 4.5835 8.9569 127.8621 53.9059 43.9846 175.1592 80 K 4.7650 8.1581 117.7943 53.7161 36.9654 174.3918 81 P 4.3676 0.0000 0.0000 64.5404 31.2599 177.2093 82 G 4.0103 8.9452 112.8739 44.8416 0.0000 173.2680 83 L 4.5667 7.7256 119.7014 54.0740 43.5188 175.9940 84 S 5.3141 8.5834 116.5000 57.1280 66.2095 173.2062 85 G 4.3204 9.0468 108.1363 45.1286 0.0000 171.2449 86 S 5.2363 8.5267 113.8637 56.2827 65.2955 172.7945 87 L 4.6526 8.7477 126.8323 53.5318 43.6984 176.3603 88 S 4.8961 8.8558 119.5210 56.1761 66.2611 173.6115 89 L 4.2592 8.2112 121.1917 56.6068 41.5270 178.1434 90 G 3.9290 8.8978 113.0046 45.1036 0.0000 173.4375 91 D 4.5901 7.8692 119.8617 54.1201 42.4952 175.3895 92 V 4.5626 8.2374 120.9823 61.0383 34.3244 173.8209 93 L 5.0784 8.7598 130.2451 53.7325 44.0614 174.3636 94 Y 4.8871 8.7789 125.0406 56.5571 38.9403 176.9630 95 L 4.1003 8.7015 125.5072 57.5477 42.2877 178.2285 96 V 4.6826 8.1214 115.4489 61.8476 34.2416 173.3778 97 N 4.2357 9.5750 119.1350 54.4874 36.5784 174.9116 98 G 3.5591 8.4138 101.6892 46.1513 0.0000 173.8909 99 L 4.6045 7.4915 118.2505 53.4471 45.8844 174.5177 100 Y 3.9108 7.8796 116.6501 58.3432 34.0995 167.4189 101 P 4.4995 0.0000 0.0000 62.4049 33.4118 177.3628 102 L 4.7861 8.5937 121.3620 53.5787 45.9089 175.2770 103 T 4.8106 8.5762 121.3944 61.5315 70.6631 173.9358 104 L 4.3676 8.3240 129.4389 55.1237 43.3405 175.9641 105 R 4.7816 8.6592 124.3137 53.8840 34.8425 173.8041 106 W 5.2920 8.4900 129.5511 55.6366 32.8325 174.6147 107 E 4.3332 9.1205 127.8659 56.4581 29.2418 176.0168 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 *7 R 8.24 4.36 0.00 1.85 1.85 0.00 3.34 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.00 8 G 8.03 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 0.00 0.00 0.00 9 R 7.10 4.62 0.00 1.94 1.96 0.00 3.03 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.63 0.00 10 L 8.64 5.33 0.00 1.78 1.73 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.62 5.46 0.00 2.91 2.40 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 0.00 12 L 9.17 4.93 0.00 1.53 1.53 0.91 0.74 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 13 Q 8.79 4.85 0.00 1.56 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 14 S 8.60 4.99 0.00 3.98 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 15 P 0.00 4.45 0.00 2.20 2.00 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 16 T 8.25 4.01 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 17 G 9.08 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 18 G 7.71 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 0.00 0.00 0.00 19 P 0.00 4.42 0.00 2.07 2.02 0.00 3.71 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 2.09 2.14 0.00 20 P 0.00 4.53 0.00 2.07 2.01 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 21 P 0.00 4.46 0.00 1.64 1.28 0.00 3.63 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 1.76 1.93 0.00 22 I 8.48 4.42 1.90 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 1.27 0.80 0.96 0.00 0.00 23 F 9.00 4.92 0.00 2.90 3.01 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 24 L 8.40 4.74 0.00 1.66 1.65 0.96 1.08 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 25 P 0.00 4.30 0.00 2.23 2.03 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 26 S 8.72 4.66 0.00 4.04 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 27 D 8.02 4.79 0.00 2.80 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 28 G 8.38 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.82 4.11 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 30 A 8.42 4.46 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 31 L 9.05 4.60 0.00 1.73 1.54 0.95 0.81 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 V 8.49 4.57 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 0.91 0.00 0.00 0.94 0.00 0.00 33 L 8.89 4.75 0.00 1.62 1.53 0.93 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 34 G 7.89 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 35 R 8.51 3.91 0.00 1.84 1.84 0.00 3.36 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 36 G 7.70 4.06 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 0.00 0.00 0.00 37 P 0.00 4.32 0.00 2.19 2.19 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 38 L 8.01 4.09 0.00 1.62 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.83 4.20 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 1.26 0.00 0.00 40 Q 7.71 3.42 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 41 V 7.32 3.84 1.88 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 0.35 0.00 0.00 0.72 0.00 0.00 42 T 8.07 4.46 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 1.17 0.00 0.00 43 D 7.56 4.43 0.00 2.63 2.55 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 44 R 8.63 4.05 0.00 1.85 1.99 0.00 3.27 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 45 K 8.20 4.06 0.00 1.93 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.52 7.81 46 C 7.81 4.33 0.00 3.00 2.97 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 0.00 0.00 0.00 47 S 8.69 4.34 0.00 3.91 3.83 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 48 R 8.59 4.17 0.00 1.84 1.98 0.00 3.22 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 49 N 7.86 4.84 0.00 2.70 2.74 0.00 0.00 6.90 7.06 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 50 Q 8.25 4.09 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.84 0.00 0.00 0.00 0.00 0.00 2.71 2.37 0.00 51 V 8.06 4.74 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 0.74 0.00 0.00 1.00 0.00 0.00 52 E 9.27 4.97 0.00 2.00 1.79 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 2.21 2.26 0.00 53 L 9.09 5.24 0.00 1.76 1.56 0.93 0.59 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 54 I 8.72 4.88 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 1.18 0.76 0.93 0.00 0.00 55 A 8.73 4.74 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 56 D 9.15 4.69 0.00 2.75 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 57 P 0.00 4.57 0.00 2.24 2.41 0.00 3.81 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 2.27 2.26 0.00 58 E 8.33 4.08 0.00 1.96 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 2.35 2.33 0.00 59 S 7.98 4.22 0.00 3.94 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 60 R 7.69 3.80 0.00 1.76 1.85 0.00 2.35 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.07 0.00 61 T 7.48 4.96 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 1.24 0.00 0.00 62 V 8.44 4.85 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 0.96 0.00 0.00 0.95 0.00 0.00 63 A 8.96 4.50 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.97 4.65 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 1.04 0.00 0.00 1.00 0.00 0.00 65 K 8.66 4.91 0.00 1.89 1.64 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.37 7.81 66 Q 8.63 4.58 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.38 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 67 L 9.12 4.37 0.00 1.76 1.70 0.93 1.01 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 68 G 7.33 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 0.00 0.00 0.00 69 V 8.39 3.89 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 0.75 0.00 0.00 0.94 0.00 0.00 70 N 7.85 4.69 0.00 2.74 2.77 0.00 0.00 6.92 8.02 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 71 P 0.00 4.74 0.00 2.12 2.24 0.00 3.87 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 2.07 2.00 0.00 72 S 9.64 5.14 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 73 T 8.80 4.92 4.43 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 1.36 0.00 0.00 74 V 8.78 4.27 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 0.96 0.00 0.00 0.96 0.00 0.00 75 G 8.89 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 0.00 0.00 0.00 76 V 8.73 3.81 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 0.71 0.00 0.00 77 H 7.85 4.97 0.00 3.14 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.69 4.86 0.00 1.98 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 2.25 2.46 0.00 79 L 8.96 4.58 0.00 1.75 1.62 0.98 0.88 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 80 K 8.16 4.76 0.00 1.65 1.67 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.43 7.81 81 P 0.00 4.37 0.00 2.04 2.01 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.36 0.00 82 G 8.95 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 83 L 7.73 4.57 0.00 1.76 1.58 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.58 5.31 0.00 3.72 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 85 G 9.05 4.32 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 0.00 86 S 8.53 5.24 0.00 3.84 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 87 L 8.75 4.65 0.00 1.62 1.52 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.86 4.90 0.00 3.87 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 89 L 8.21 4.26 0.00 1.58 1.58 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.90 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 91 D 7.87 4.59 0.00 2.70 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 92 V 8.24 4.56 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 0.30 0.00 0.00 0.84 0.00 0.00 93 L 8.76 5.08 0.00 1.70 1.59 1.00 0.83 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 94 Y 8.78 4.89 0.00 3.01 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 95 L 8.70 4.10 0.00 1.89 1.84 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.12 4.68 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 0.90 0.00 0.00 1.04 0.00 0.00 97 N 9.57 4.24 0.00 2.88 2.89 0.00 0.00 6.99 7.54 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 98 G 8.41 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 99 L 7.49 4.60 0.00 1.05 0.27 0.70 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.88 3.91 0.00 3.36 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 1.75 1.30 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 102 L 8.59 4.79 0.00 1.45 1.47 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.58 4.81 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 1.11 0.00 0.00 104 L 8.32 4.37 0.00 1.70 1.57 0.93 0.78 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 0.00 105 R 8.66 4.78 0.00 0.67 1.02 0.00 3.00 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 106 W 8.49 5.29 0.00 3.33 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 0.00 107 E 9.12 4.33 0.00 2.11 1.60 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 2.19 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.