NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 L 4.3041 8.0433 122.4886 54.5147 43.6226 177.4765 9 K 3.8160 8.6741 125.7040 59.2253 31.8042 178.1544 10 R 3.9146 8.0297 117.0823 59.1760 30.7927 178.1329 11 L 4.1124 7.8212 119.7023 58.0884 42.2326 178.4569 12 Q 4.0163 8.1776 119.8632 58.9747 28.7398 177.9383 13 S 4.3673 7.7591 113.2247 58.8535 64.0753 174.7124 14 Q 4.0633 7.4227 122.5826 55.3663 29.1064 175.7072 15 K 3.9016 8.5466 122.1461 58.5642 32.6062 175.7254 16 G 4.1068 9.0343 113.5958 45.4964 0.0000 173.5999 17 V 4.0981 7.3776 119.3829 62.9800 31.9624 175.3941 18 Q 4.4248 8.8286 125.9298 56.7615 30.4786 175.8464 19 G 4.4921 7.1911 103.9386 46.8234 0.0000 172.3862 20 I 5.2553 8.0853 120.5972 59.3983 41.4150 174.7371 21 I 4.9165 8.9710 126.9774 59.4860 41.1536 174.3402 22 V 4.7239 9.0672 127.1417 61.4014 33.2740 174.7856 23 V 4.9957 8.6110 121.3066 59.5248 34.9415 175.9872 24 N 4.8821 8.8521 122.1808 51.8758 38.7954 175.9078 25 T 3.5913 8.2761 107.3939 64.2907 68.6340 174.6057 26 E 4.3083 8.3819 119.5983 55.9676 29.7404 176.6655 27 G 3.7932 8.3700 107.6450 45.3031 0.0000 173.6538 28 I 4.0658 7.8964 122.0295 59.3206 37.8112 173.6303 29 P 4.7464 0.0000 0.0000 62.9842 31.4719 175.9311 30 I 4.3298 8.6197 116.7087 61.0232 39.2137 175.6465 31 K 4.5837 7.6762 122.9748 55.5770 35.4569 174.0496 32 S 5.1067 8.4643 120.1164 57.3212 65.3307 173.4820 33 T 4.4667 8.7980 115.8212 61.9116 69.2432 174.1767 34 M 4.6893 7.8824 121.8098 53.1702 34.8589 175.8885 35 D 4.5472 8.3264 120.1846 53.5386 41.2998 177.0870 36 N 4.2630 8.6260 118.9117 56.5676 39.1206 175.2257 37 P 4.2658 0.0000 0.0000 66.1426 31.3073 178.7506 38 T 4.0813 9.5193 115.5462 66.8030 68.2888 176.8649 39 T 3.9761 8.1503 117.8381 67.2549 68.2977 176.7141 40 T 3.8993 7.9527 116.2275 66.5647 68.5297 175.9804 41 Q 4.0065 8.3126 121.0530 59.0567 29.1063 177.5700 42 Y 4.3673 7.8302 116.2067 59.5943 39.1386 177.5061 43 A 4.1126 8.3279 122.1362 55.5001 18.3620 179.8659 44 S 4.1413 8.0066 111.5403 61.6956 62.8624 176.4545 45 L 4.0305 7.8910 122.4571 57.6686 41.3670 179.2959 46 M 4.2536 8.6469 119.1666 58.3390 31.8786 178.1728 47 H 4.1992 8.4736 118.8295 59.4802 30.1469 177.4567 48 S 4.1221 7.9322 116.0604 61.3869 62.6668 176.2080 49 F 4.2377 8.0136 123.7204 61.1396 39.1155 177.2010 50 I 3.1006 7.9645 119.8368 64.0600 36.6827 178.2785 51 L 3.8419 7.6561 119.7676 57.7002 41.3597 179.5769 52 K 3.8228 7.8557 119.1180 59.2134 32.1060 178.6404 53 A 3.7287 7.5768 121.1015 55.0445 18.1337 179.5181 54 R 3.7203 7.8025 117.3775 59.6908 30.1265 178.9545 55 S 4.1211 8.2485 114.2065 61.5013 63.0012 176.5765 56 T 3.7839 8.1017 119.6616 66.4451 68.1531 176.4937 57 V 3.5767 7.6385 120.1357 66.4236 30.9421 178.3491 58 R 4.1225 7.7649 117.5772 59.2130 29.6660 178.7530 59 D 4.4398 8.1731 118.3217 57.1169 40.8194 178.5456 60 I 4.2007 7.6412 119.9331 62.9879 37.5876 175.8507 61 D 4.4452 8.3864 121.5051 52.2110 42.1785 173.3616 62 P 4.3335 0.0000 0.0000 64.4376 31.4251 177.5294 63 Q 4.3155 8.4826 114.8674 55.7265 28.9981 174.9789 64 N 4.8322 7.9805 117.5774 52.3967 40.5114 173.7305 65 D 4.6955 8.1013 119.7485 52.1071 44.7900 175.4656 66 L 4.0417 8.6552 126.0967 55.7528 42.4550 176.5087 67 T 4.6021 8.1847 113.6893 61.6860 70.8323 173.5596 68 F 4.9864 7.6191 120.7769 57.2653 42.3361 173.0657 69 L 4.6985 7.7624 124.4406 52.7798 45.6971 175.3244 70 R 4.8054 8.5630 122.8112 54.5450 32.8581 174.3148 71 I 4.4102 9.1269 127.8806 59.7616 39.2643 174.4299 72 R 4.9467 8.5811 128.0083 54.7161 31.7158 175.2030 73 S 4.7903 8.8738 119.5787 56.1026 66.4982 174.0437 74 K 4.0744 8.7423 118.9693 59.2445 31.7462 178.6113 75 K 4.3250 7.8704 116.2304 57.8537 33.2066 175.3197 76 N 4.8796 7.8090 113.9527 52.6334 40.7427 172.7639 77 E 5.1707 8.9402 118.2034 55.3973 33.8494 174.8741 78 I 5.0326 9.0970 127.0423 59.8330 40.6274 174.3273 79 M 4.9546 9.0674 126.4568 53.5517 35.2081 175.1665 80 V 4.9231 8.2261 121.1655 61.1535 35.4462 173.7896 81 A 5.0518 8.8710 128.9913 49.3739 21.5942 173.7393 82 P 5.0184 0.0000 0.0000 63.4364 31.7052 174.7632 83 D 4.1625 8.5312 122.0982 54.8798 47.3800 174.9743 *86 Y 4.3647 7.4006 116.1833 56.7442 40.2109 173.7890 87 F 5.6078 8.8931 117.8797 55.7084 42.4559 174.3980 88 L 5.0648 9.3021 126.1943 54.0613 43.6702 174.9798 89 I 5.0185 9.2789 127.7778 59.5120 39.9532 174.6318 90 V 4.7591 8.8997 127.3475 61.1223 34.2276 174.0139 91 I 4.9506 8.6350 129.3632 59.7262 39.4769 174.7651 92 Q 4.9881 8.8751 123.2075 54.7306 32.2630 173.6080 93 N 4.7589 8.8606 118.2201 52.7468 39.3972 173.6444 94 P 4.3173 0.0000 0.0000 63.1135 32.1111 176.8285 95 T 4.1853 8.7208 111.8535 61.8378 68.8950 174.5226 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 8 L 8.04 4.30 0.00 1.74 1.61 0.92 0.20 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 9 K 8.67 3.82 0.00 1.92 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.58 7.81 10 R 8.03 3.91 0.00 1.78 2.00 0.00 3.21 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 11 L 7.82 4.11 0.00 1.77 1.66 0.95 0.57 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 12 Q 8.18 4.02 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 13 S 7.76 4.37 0.00 4.09 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 14 Q 7.42 4.06 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 15 K 8.55 3.90 0.00 1.71 1.76 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.47 7.81 16 G 9.03 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 17 V 7.38 4.10 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 0.85 0.00 0.00 1.01 0.00 0.00 18 Q 8.83 4.42 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 19 G 7.19 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.09 5.26 1.86 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 1.23 0.78 0.92 0.00 0.00 21 I 8.97 4.92 1.90 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 1.10 0.91 0.95 0.00 0.00 22 V 9.07 4.72 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 0.38 0.00 0.00 0.80 0.00 0.00 23 V 8.61 5.00 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 1.23 0.00 0.00 24 N 8.85 4.88 0.00 2.91 2.96 0.00 0.00 6.74 8.01 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 25 T 8.28 3.59 4.20 0.00 0.00 0.00 0.00 0.00 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 26 E 8.38 4.31 0.00 2.03 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 2.25 2.36 0.00 27 G 8.37 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 0.00 0.00 0.00 28 I 7.90 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 1.35 0.67 0.91 0.00 0.00 29 P 0.00 4.75 0.00 2.18 2.10 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 30 I 8.62 4.33 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.94 0.00 0.00 31 K 7.68 4.58 0.00 1.78 1.53 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.45 7.81 32 S 8.46 5.11 0.00 3.87 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 33 T 8.80 4.47 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 1.20 0.00 0.00 34 M 7.88 4.69 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 35 D 8.33 4.55 0.00 2.95 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 36 N 8.63 4.26 0.00 2.78 2.86 0.00 0.00 6.94 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 37 P 0.00 4.27 0.00 2.30 2.11 0.00 3.90 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 2.13 2.20 0.00 38 T 9.52 4.08 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 1.44 0.00 0.00 39 T 8.15 3.98 4.42 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 1.24 0.00 0.00 40 T 7.95 3.90 4.39 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 1.23 0.00 0.00 41 Q 8.31 4.01 0.00 2.12 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.95 2.27 0.00 42 Y 7.83 4.37 0.00 2.98 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 43 A 8.33 4.11 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 44 S 8.01 4.14 0.00 4.09 4.17 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 45 L 7.89 4.03 0.00 1.68 1.73 0.90 0.95 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 46 M 8.65 4.25 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.97 0.00 47 H 8.47 4.20 0.00 3.46 3.59 0.00 5.79 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 48 S 7.93 4.12 0.00 4.06 4.16 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 49 F 8.01 4.24 0.00 3.09 3.24 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 50 I 7.96 3.10 1.49 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 1.16 0.35 -0.41 0.00 0.00 51 L 7.66 3.84 0.00 1.77 1.66 0.89 0.83 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 52 K 7.86 3.82 0.00 1.94 1.88 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 53 A 7.58 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.80 3.72 0.00 1.84 2.00 0.00 3.15 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 55 S 8.25 4.12 0.00 4.05 4.13 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 56 T 8.10 3.78 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 1.19 0.00 0.00 57 V 7.64 3.58 2.18 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 1.08 0.00 0.00 0.94 0.00 0.00 58 R 7.76 4.12 0.00 1.94 1.95 0.00 3.37 0.00 0.00 3.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 59 D 8.17 4.44 0.00 2.75 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 60 I 7.64 4.20 2.00 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 1.40 0.56 0.91 0.00 0.00 61 D 8.39 4.45 0.00 2.61 2.49 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 0.00 0.00 0.00 0.00 62 P 0.00 4.33 0.00 2.07 2.12 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 63 Q 8.48 4.32 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 64 N 7.98 4.83 0.00 2.81 2.78 0.00 0.00 6.88 8.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.10 4.70 0.00 2.64 2.50 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 0.00 0.00 0.00 0.00 66 L 8.66 4.04 0.00 1.52 1.55 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.18 4.60 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 1.23 0.00 0.00 68 F 7.62 4.99 0.00 2.96 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 69 L 7.76 4.70 0.00 1.27 1.27 0.52 0.70 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 70 R 8.56 4.81 0.00 1.87 1.84 0.00 3.27 0.00 0.00 3.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 71 I 9.13 4.41 1.85 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.77 0.00 0.00 72 R 8.58 4.95 0.00 1.83 1.81 0.00 3.19 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 1.54 1.62 0.00 73 S 8.87 4.79 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 74 K 8.74 4.07 0.00 1.76 1.92 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.41 7.81 75 K 7.87 4.32 0.00 1.75 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 76 N 7.81 4.88 0.00 3.05 2.95 0.00 0.00 6.22 7.05 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 77 E 8.94 5.17 0.00 2.04 1.78 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 2.23 2.31 0.00 78 I 9.10 5.03 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.94 0.00 0.00 79 M 9.07 4.95 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 80 V 8.23 4.92 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 0.94 0.00 0.00 0.90 0.00 0.00 81 A 8.87 5.05 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 82 P 0.00 5.02 0.00 2.01 2.19 0.00 3.97 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.10 0.00 83 D 8.53 4.16 0.00 2.42 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 0.00 0.00 0.00 0.00 *86 Y 7.40 4.36 0.00 3.29 3.04 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 0.00 0.00 0.00 0.00 87 F 8.89 5.61 0.00 3.06 2.90 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 88 L 9.30 5.06 0.00 2.01 1.83 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 89 I 9.28 5.02 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.92 0.00 0.00 90 V 8.90 4.76 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 1.08 0.00 0.00 0.98 0.00 0.00 91 I 8.63 4.95 1.62 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.45 0.72 0.00 0.00 92 Q 8.88 4.99 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 93 N 8.86 4.76 0.00 2.61 2.81 0.00 0.00 6.99 7.64 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 94 P 0.00 4.32 0.00 2.05 2.00 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 95 T 8.72 4.19 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.