NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.0152 8.1976 109.7467 45.1171 0.0000 175.8708 4 S 3.9869 9.0101 120.4659 61.2254 62.6836 173.9978 5 H 4.2443 8.4076 119.7551 58.5486 28.8942 178.5782 6 M 4.0724 8.0648 119.6673 58.6468 32.2319 177.3479 7 Y 4.0371 8.6107 120.1601 60.9141 39.0257 178.2102 8 L 3.8824 8.4343 120.1802 57.7006 41.6955 179.7570 9 S 4.1223 8.0129 114.7597 61.6839 62.7671 176.0298 10 K 3.7237 7.9251 121.9493 59.9979 31.6887 178.0801 11 Q 3.9516 7.9180 117.5402 59.2814 28.7463 179.6106 12 L 3.9713 8.3507 119.8524 58.2654 41.6130 178.6703 13 C 4.1660 8.8072 118.7830 62.5671 31.3390 175.0859 14 F 4.3327 8.7526 121.7705 61.7485 38.9959 177.4985 15 L 3.6645 8.2659 118.3884 57.7531 41.3459 179.6777 16 F 4.0896 8.5360 119.4909 60.1241 38.7331 176.9131 17 Y 4.0070 8.4200 119.4780 60.6806 38.7012 177.9676 18 V 3.2821 8.5116 119.8186 66.0466 31.4353 178.3600 19 S 4.0211 8.1443 114.2959 61.3527 62.9998 176.2751 20 S 4.3075 8.0834 116.7699 59.6773 62.8283 176.2945 21 K 3.7977 7.3339 123.2122 59.2476 31.7444 178.8979 22 E 3.9801 7.6980 117.4036 59.3209 29.6832 179.2418 23 I 3.9819 7.8081 119.8284 64.5786 37.1757 178.3981 24 I 3.0336 7.3818 120.3913 64.1748 36.4897 178.1696 25 K 3.7326 7.9012 120.2663 59.7408 31.7071 178.8137 26 K 3.7914 7.9859 118.4235 59.3336 31.8439 179.0060 27 Y 4.0212 7.8733 116.7178 60.8956 37.6044 177.8812 28 T 3.9989 7.9796 116.5448 67.6658 68.9011 175.4215 29 N 4.2589 7.8239 117.9153 55.9930 37.9231 176.5664 30 Y 4.1414 7.9479 117.0621 61.6781 38.3158 179.2927 31 L 4.3373 8.7054 119.7517 57.2673 41.4749 179.2173 32 K 3.9774 8.0999 118.1231 59.3583 31.9297 178.4583 33 E 4.0102 7.6953 117.6893 58.4862 29.6000 177.1060 34 Y 4.5608 7.5191 114.3374 56.9735 40.0772 175.2872 35 D 4.8485 9.2194 121.6755 53.8414 40.2802 175.4880 36 L 4.8598 7.6608 119.1021 53.4400 45.0421 177.0289 37 T 4.7198 7.9466 110.5271 59.8069 72.5926 174.6585 38 Y 4.2300 8.5970 122.4831 61.4351 38.6422 178.7141 39 T 3.6523 8.0057 110.0490 64.7243 69.0129 176.3954 40 G 3.5792 8.3764 108.6774 47.3845 0.0000 174.9862 41 Y 3.9568 7.9143 121.8109 60.4771 38.8211 177.5984 42 I 3.3507 7.3788 120.8287 63.9531 36.9405 178.1778 43 V 3.4578 7.7621 119.4064 66.2054 31.3002 177.9808 44 L 4.0260 7.4630 117.5968 58.2285 41.4525 179.5856 45 M 3.8167 7.7446 118.2380 57.9207 31.7148 178.8192 46 A 3.9237 8.1009 121.3356 55.1269 18.7187 179.6340 47 I 3.6501 8.5587 119.2181 64.0533 36.8311 177.7519 48 E 3.9917 7.7107 118.9814 58.2218 29.9085 177.2475 49 N 4.4024 7.7574 116.2060 56.3719 39.0195 174.7497 50 D 4.5152 8.0663 117.5488 52.4387 43.5517 175.4314 51 E 3.5009 7.6275 119.3040 56.8601 27.2286 173.4130 *54 N 4.4483 7.5675 116.6701 53.0375 40.8197 174.7600 55 I 3.6957 8.4390 126.4172 64.4870 37.9203 178.1254 56 K 4.1420 8.0488 118.6427 57.9925 32.5314 178.5896 57 K 4.6327 7.8459 120.1992 57.2866 32.0926 178.1649 58 L 3.9979 7.7726 121.1640 58.2487 42.2914 178.6934 59 G 3.8553 7.7721 105.3627 47.4818 0.0000 174.9329 60 E 3.7418 7.2131 118.3623 58.7477 29.9168 178.6333 61 R 3.6694 7.6326 116.6040 58.5199 30.1663 177.7747 62 V 4.3255 7.9037 110.0548 59.8682 34.2159 174.7399 63 F 3.5482 7.7384 115.0941 57.5764 35.5467 174.7349 64 L 4.8103 8.2442 118.7725 52.9320 45.7305 176.7244 65 D 4.5058 8.6044 122.3777 54.0910 41.4694 177.5732 66 S 4.2384 8.8853 116.2975 59.5591 62.7126 175.3863 67 G 4.0846 7.8271 108.8394 46.2696 0.0000 174.5083 68 T 4.5186 9.0945 114.8493 63.0959 71.0983 175.4633 69 L 4.2565 7.7773 122.5507 57.1965 42.4149 178.1385 70 T 3.8479 7.4385 108.6464 64.5664 68.3692 174.2152 71 P 4.3090 0.0000 0.0000 64.9070 31.5557 177.7968 72 L 3.9056 8.0215 118.3303 58.6447 41.6170 178.7352 73 L 4.0067 7.5057 116.7402 58.1447 41.6578 179.2471 74 K 3.9593 7.5259 115.5634 60.2611 32.1038 178.8337 75 K 3.6168 8.2353 115.8730 59.6036 33.1427 177.0072 76 L 3.9633 8.0395 126.5553 56.2996 40.5859 178.8395 *79 K 4.0198 7.8584 120.2617 53.0006 34.4004 179.1284 80 D 4.6369 8.2058 113.3822 55.3984 40.2606 173.8770 81 Y 4.3557 7.2950 115.3099 59.8527 39.0725 177.4113 *99 T 4.3452 7.5699 108.6780 62.0086 69.6708 175.0630 100 E 4.2548 8.9371 116.8013 58.3721 30.1017 177.8944 101 Q 4.3812 8.0153 116.2129 57.9323 28.9818 177.9164 102 G 3.7571 8.0548 106.9632 47.2767 0.0000 175.5685 103 K 4.1664 7.9004 120.2309 59.3456 32.1756 179.0943 104 A 4.0990 7.8003 119.2960 54.4630 18.7038 178.4561 105 I 4.2292 7.8486 115.3994 61.4477 38.2784 177.4539 106 K 4.0157 8.0407 119.4765 60.1377 31.7830 179.0617 107 S 4.2999 8.0063 114.9995 60.7109 62.8889 174.6508 108 P 4.6156 0.0000 0.0000 65.3607 31.3984 178.2547 109 L 4.0666 7.9635 117.4122 57.7432 41.5837 178.9923 110 A 4.1013 8.0973 120.3775 55.7794 18.3561 179.5538 111 E 3.9960 8.7432 116.8990 59.5296 29.3920 179.6761 112 I 3.4128 7.8500 120.0860 64.4617 37.0517 178.5004 113 S 4.3772 8.1998 117.2266 60.8748 62.7455 177.0674 114 V 3.6607 7.5767 120.6035 65.8869 31.2349 177.9881 115 K 3.7291 8.0781 117.2969 59.3401 32.0215 179.2834 116 V 3.3438 7.5320 118.6311 65.9881 31.3430 178.1882 117 F 4.6392 8.1242 117.0555 59.9986 38.8572 177.1511 118 N 4.5520 8.1706 115.9407 55.4666 38.1993 176.2705 119 E 4.2137 7.8892 118.1440 57.2484 29.6524 177.5846 120 F 4.4943 7.5763 117.3426 56.3378 40.7624 175.6680 121 N 4.1390 7.5097 114.8275 54.4809 36.0852 173.4319 122 I 4.6150 7.1274 111.8289 58.4731 41.1838 176.3060 123 S 4.4378 9.1298 117.3412 58.0470 63.5556 174.9299 124 E 4.1775 8.5401 119.0032 58.2158 29.1428 179.4955 125 R 4.0302 7.7616 118.5440 59.1090 30.4978 178.1053 126 E 4.6065 8.4567 119.3028 58.8193 29.0103 179.2444 127 A 3.9305 8.0174 120.8469 55.4459 18.3932 179.9060 128 S 4.1842 7.7220 112.0943 61.1348 63.2099 176.4547 129 D 4.2935 8.3277 123.2378 57.5118 40.5477 178.4578 130 I 3.6786 7.9351 120.4719 64.7373 37.1931 178.5667 131 I 3.5534 7.3522 119.2544 64.3805 36.6726 178.2645 132 N 4.4677 8.0951 116.7277 56.0972 38.4730 177.1175 133 N 4.5990 8.5619 118.3213 56.3630 38.7518 177.4071 134 L 4.3967 8.7013 120.2607 57.0130 41.6400 179.6600 135 R 4.1332 7.7736 118.1352 59.0611 29.9092 178.1340 136 N 4.5476 7.7209 116.5673 54.4939 38.4847 176.0216 137 F 4.7091 7.5427 117.1382 56.9179 40.0373 176.6583 138 V 4.4866 8.3178 117.9268 61.1763 34.1483 175.2603 139 S 4.3538 8.0443 119.9737 58.3162 63.2276 173.7554 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 G 8.20 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 0.00 0.00 0.00 4 S 9.01 3.99 0.00 4.15 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.41 4.24 0.00 3.30 3.43 0.00 5.82 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 6 M 8.06 4.07 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.63 0.00 7 Y 8.61 4.04 0.00 3.19 3.18 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 8 L 8.43 3.88 0.00 1.74 1.73 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.01 4.12 0.00 4.05 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 10 K 7.93 3.72 0.00 2.01 1.78 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 11 Q 7.92 3.95 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 1.69 2.03 0.00 12 L 8.35 3.97 0.00 1.95 2.04 1.20 0.87 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 13 C 8.81 4.17 0.00 3.08 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 14 F 8.75 4.33 0.00 3.08 3.09 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 15 L 8.27 3.66 0.00 1.81 1.44 0.86 1.20 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 16 F 8.54 4.09 0.00 3.28 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 17 Y 8.42 4.01 0.00 3.09 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 18 V 8.51 3.28 1.59 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 0.73 0.00 0.00 0.28 0.00 0.00 19 S 8.14 4.02 0.00 3.88 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 20 S 8.08 4.31 0.00 4.03 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 0.00 21 K 7.33 3.80 0.00 1.66 1.66 0.00 0.65 0.00 0.00 1.33 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.82 0.72 7.81 22 E 7.70 3.98 0.00 2.22 2.29 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 2.35 2.32 0.00 23 I 7.81 3.98 1.83 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 1.42 0.59 0.99 0.00 0.00 24 I 7.38 3.03 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.56 0.50 0.00 0.00 25 K 7.90 3.73 0.00 1.84 1.99 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.44 7.81 26 K 7.99 3.79 0.00 1.81 1.68 0.00 1.35 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.55 7.81 27 Y 7.87 4.02 0.00 3.02 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 28 T 7.98 4.00 4.45 0.00 0.00 0.00 0.00 0.00 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 29 N 7.82 4.26 0.00 2.66 2.48 0.00 0.00 7.07 7.36 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 30 Y 7.95 4.14 0.00 2.96 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 31 L 8.71 4.34 0.00 1.78 1.97 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.10 3.98 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.85 7.81 33 E 7.70 4.01 0.00 1.35 1.65 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 2.31 2.75 0.00 34 Y 7.52 4.56 0.00 3.04 3.07 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 0.00 0.00 0.00 35 D 9.22 4.85 0.00 2.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 4.86 0.00 1.74 1.59 0.51 0.80 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 37 T 7.95 4.72 4.31 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 1.27 0.00 0.00 38 Y 8.60 4.23 0.00 3.02 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 39 T 8.01 3.65 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 1.22 0.00 0.00 40 G 8.38 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 3.96 0.00 3.05 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 42 I 7.38 3.35 1.56 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.02 0.77 0.00 0.00 43 V 7.76 3.46 2.20 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 0.98 0.00 0.00 0.93 0.00 0.00 44 L 7.46 4.03 0.00 1.50 1.47 0.45 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.74 3.82 0.00 1.77 1.86 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.60 0.00 46 A 8.10 3.92 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 47 I 8.56 3.65 1.94 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 1.55 1.05 0.89 0.00 0.00 48 E 7.71 3.99 0.00 1.96 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 0.00 2.23 2.26 0.00 49 N 7.76 4.40 0.00 2.84 2.80 0.00 0.00 7.07 9.28 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 50 D 8.07 4.52 0.00 2.67 2.65 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 51 E 7.63 3.50 0.00 2.22 1.96 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 2.29 2.36 0.00 *54 N 7.57 4.45 0.00 2.73 2.71 0.00 0.00 7.05 7.91 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 55 I 8.44 3.70 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 1.40 0.95 0.90 0.00 0.00 56 K 8.05 4.14 0.00 1.74 1.81 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.35 7.81 57 K 7.85 4.63 0.00 1.78 1.94 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.30 7.81 58 L 7.77 4.00 0.00 1.90 1.83 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.77 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.21 3.74 0.00 2.12 1.75 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 2.12 2.39 0.00 61 R 7.63 3.67 0.00 1.94 1.96 0.00 3.21 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 62 V 7.90 4.33 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 0.82 0.00 0.00 1.00 0.00 0.00 63 F 7.74 3.55 0.00 3.08 3.21 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 64 L 8.24 4.81 0.00 1.53 1.51 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.60 4.51 0.00 2.71 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 66 S 8.89 4.24 0.00 3.99 4.08 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 0.00 0.00 0.00 0.00 67 G 7.83 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 9.09 4.52 4.31 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 1.23 0.00 0.00 69 L 7.78 4.26 0.00 1.75 1.64 0.91 0.76 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 70 T 7.44 3.85 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 1.28 0.00 0.00 71 P 0.00 4.31 0.00 2.19 2.16 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 72 L 8.02 3.91 0.00 1.76 1.91 0.94 0.60 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 73 L 7.51 4.01 0.00 1.65 1.74 0.91 1.25 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 74 K 7.53 3.96 0.00 1.98 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.77 7.81 75 K 8.24 3.62 0.00 1.97 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.72 7.81 76 L 8.04 3.96 0.00 1.86 1.77 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 *79 K 7.86 4.02 0.00 1.71 1.86 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 80 D 8.21 4.64 0.00 2.74 2.70 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 81 Y 7.29 4.36 0.00 3.23 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 *99 T 7.57 4.35 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 1.39 0.00 0.00 100 E 8.94 4.25 0.00 2.05 1.98 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 2.27 2.46 0.00 101 Q 8.02 4.38 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 102 G 8.05 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 0.00 103 K 7.90 4.17 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.84 7.81 104 A 7.80 4.10 1.35 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 0.00 105 I 7.85 4.23 2.13 0.00 0.00 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 1.72 1.64 1.08 0.00 0.00 106 K 8.04 4.02 0.00 2.03 1.84 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.74 7.81 107 S 8.01 4.30 0.00 3.90 4.08 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 0.00 0.00 0.00 0.00 108 P 0.00 4.62 0.00 2.25 2.27 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.25 0.00 109 L 7.96 4.07 0.00 1.84 1.67 0.81 -0.04 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 0.00 110 A 8.10 4.10 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 0.00 111 E 8.74 4.00 0.00 2.20 2.03 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 2.35 2.50 0.00 112 I 7.85 3.41 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.76 0.62 0.00 0.00 113 S 8.20 4.38 0.00 4.24 4.36 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 0.00 114 V 7.58 3.66 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 1.08 0.00 0.00 0.97 0.00 0.00 115 K 8.08 3.73 0.00 0.97 0.74 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.21 7.81 116 V 7.53 3.34 1.30 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 0.26 0.00 0.00 -0.09 0.00 0.00 117 F 8.12 4.64 0.00 3.25 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 0.00 118 N 8.17 4.55 0.00 2.89 2.86 0.00 0.00 6.85 7.09 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 0.00 119 E 7.89 4.21 0.00 1.72 1.66 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 2.26 2.47 0.00 120 F 7.58 4.49 0.00 3.24 3.08 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 0.00 0.00 0.00 0.00 121 N 7.51 4.14 0.00 2.85 2.91 0.00 0.00 6.69 6.82 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 0.00 122 I 7.13 4.62 1.89 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 1.57 0.71 1.03 0.00 0.00 123 S 9.13 4.44 0.00 3.99 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 0.00 124 E 8.54 4.18 0.00 2.03 2.02 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 2.40 2.40 0.00 125 R 7.76 4.03 0.00 1.85 1.95 0.00 3.14 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 126 E 8.46 4.61 0.00 2.01 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 2.33 2.20 0.00 127 A 8.02 3.93 1.40 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 0.00 0.00 128 S 7.72 4.18 0.00 4.03 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 0.00 129 D 8.33 4.29 0.00 2.87 2.74 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 0.00 0.00 0.00 130 I 7.94 3.68 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.04 0.82 0.00 0.00 131 I 7.35 3.55 2.03 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 1.44 0.94 0.89 0.00 0.00 132 N 8.10 4.47 0.00 2.85 2.89 0.00 0.00 7.09 7.60 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 0.00 133 N 8.56 4.60 0.00 2.97 2.99 0.00 0.00 6.97 6.60 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 0.00 134 L 8.70 4.40 0.00 1.77 1.78 0.90 0.41 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 0.00 135 R 7.77 4.13 0.00 2.17 1.99 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 136 N 7.72 4.55 0.00 2.10 2.64 0.00 0.00 6.87 7.30 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 0.00 137 F 7.54 4.71 0.00 3.14 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 0.00 138 V 8.32 4.49 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 0.82 0.00 0.00 0.97 0.00 0.00 139 S 8.04 4.35 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.