NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.3569 0.0000 0.0000 62.5451 31.7976 175.7132 12 H 4.8179 7.9399 119.5401 52.4451 33.9090 172.1685 13 R 3.8766 9.4189 124.2901 59.7736 30.4920 178.9805 14 R 3.9168 7.9759 116.7233 59.4996 30.1946 178.2646 15 D 4.3068 8.1231 116.9248 57.5095 41.1694 177.9471 16 L 3.9479 8.3142 120.9939 58.2574 42.0389 178.7159 17 C 4.1320 8.1998 116.8183 62.9862 28.1028 176.3526 18 S 4.2528 8.0211 115.5358 61.5401 62.5457 176.6758 19 R 4.0386 8.2261 121.7353 59.1373 29.8253 179.1684 20 S 4.2539 8.4327 115.2827 61.3728 62.7821 176.8468 21 I 3.8285 8.0578 122.6760 64.0924 36.8738 177.9816 22 W 4.1568 8.6398 129.6457 60.7160 30.5272 177.7659 23 L 3.9990 8.7125 119.8295 58.0147 41.4940 178.8331 24 A 3.7811 8.0693 120.9008 54.9705 18.3161 179.8255 25 R 3.7224 7.9431 116.6187 59.1865 30.2493 179.1243 26 K 3.5352 7.6503 119.4934 59.4149 32.0537 178.9197 27 I 3.6171 7.5386 120.0651 64.1487 36.7660 178.2550 28 R 3.7697 7.5232 118.4982 59.4912 30.1603 178.4974 29 S 4.1783 7.8349 114.6612 61.8167 62.8125 176.2115 30 D 4.3527 7.7919 121.0730 57.6546 40.5799 179.1086 31 L 3.8870 7.8094 119.0138 58.0126 41.5004 179.3339 32 T 3.7659 7.7924 115.5861 66.7025 68.3174 176.1815 33 A 3.9460 7.8112 121.4913 55.3625 18.6759 179.2407 34 L 3.9962 8.1576 118.9046 58.6681 41.9696 179.4337 35 T 3.9765 8.4691 116.2120 66.3609 68.4184 176.5715 36 E 3.9504 8.0134 120.0437 59.7020 29.5706 179.3986 37 S 4.0468 8.3173 115.2591 61.8375 62.4155 176.3750 38 Y 3.8719 8.1437 121.8074 60.8652 38.6083 178.3305 39 V 3.6049 8.2365 113.7040 64.4745 31.7474 178.8315 40 K 3.8939 7.9416 117.9884 59.7035 31.6636 179.1252 41 H 3.9106 7.6804 115.3591 58.5989 28.6826 177.0310 42 Q 4.0273 7.5103 116.4933 54.4879 30.0526 175.6364 43 G 3.9187 7.5334 108.1265 46.6795 0.0000 172.8056 44 L 4.7041 7.6825 125.8797 54.7608 42.4399 178.5994 *64 W 5.0951 8.6640 125.6600 57.3765 30.1881 174.8348 65 S 4.3682 7.9841 112.7881 58.3048 62.4212 173.7570 66 E 4.6858 8.4893 126.2923 56.0703 30.2792 175.8291 67 L 4.7831 7.1701 117.2642 53.3674 43.9351 177.5974 68 T 4.4785 8.5183 112.5610 60.8645 71.2006 175.6633 69 E 4.0342 8.8849 119.9346 59.6826 29.4186 179.3727 70 A 3.3360 7.4570 119.7599 55.2637 18.4451 179.4019 71 E 3.9449 7.8229 116.7765 59.4960 29.4612 180.0368 72 R 4.0262 8.0749 118.2109 59.2546 30.1160 179.0091 73 L 4.0592 8.0281 118.7611 57.8181 41.5203 179.5572 74 Q 3.9983 8.1452 117.8356 59.1935 28.8447 178.7452 75 E 4.0504 8.1689 119.2421 59.5789 29.5159 179.3215 76 N 4.2553 8.5200 116.4465 56.1055 38.6810 177.0562 77 L 3.9360 8.1941 121.9298 58.5621 42.1276 179.2297 78 Q 3.9963 8.3964 117.6392 58.4290 28.4504 178.9116 79 A 3.3503 7.4605 121.8519 55.2584 17.8761 179.4131 80 Y 3.9962 8.0612 115.0541 60.9362 37.7221 178.9567 81 R 3.9660 8.0824 119.3831 59.5807 30.1321 179.2069 82 T 3.8911 7.5540 115.5501 66.4857 68.3823 176.9147 83 F 4.3770 8.1319 120.2186 60.7839 38.8244 177.1555 84 H 4.0621 8.5441 118.0021 59.3024 29.6836 177.4896 85 V 3.6584 7.6469 120.1540 65.9786 31.2604 178.0228 86 L 4.3295 8.2342 118.7896 58.0146 41.5577 179.5559 87 L 3.8606 8.4484 119.1623 57.5094 41.5004 179.2964 88 A 4.0282 8.1875 120.9813 55.2313 18.3131 179.7163 89 R 3.9658 8.0641 116.8170 59.3240 29.9724 178.4344 90 L 4.2648 8.1398 119.6854 58.0338 42.2789 178.4595 91 L 4.0097 8.4674 120.5749 58.2136 41.9647 178.2498 92 E 3.9113 8.2647 119.2249 59.7898 29.4239 178.5497 93 D 4.4128 8.4411 117.8755 57.0121 40.8398 177.8286 94 Q 4.4647 8.4958 120.3731 57.9379 28.8199 177.7051 95 Q 4.0669 7.9063 117.5996 58.9274 28.6790 178.3609 96 V 4.2548 7.4099 115.1618 62.7463 31.2820 174.9062 97 H 4.7214 7.5165 116.9111 58.1006 35.5235 174.4428 98 F 4.8006 8.5093 121.1756 60.5901 39.7647 176.6969 99 T 4.7624 7.6772 107.2234 58.6774 67.9673 170.8833 100 P 4.2736 0.0000 0.0000 66.5733 32.0762 176.9702 101 T 4.2632 8.0193 124.8422 63.2089 68.2110 173.1103 102 E 4.5858 9.0991 126.1140 54.3775 33.2209 178.7967 103 G 4.3164 7.3057 106.7450 45.1191 0.0000 175.3693 104 D 4.5974 8.4936 126.5567 56.0490 40.5147 177.7034 105 F 4.3747 7.9298 120.8477 61.8536 39.5522 176.7709 106 H 4.0574 8.2458 115.3070 58.7768 28.4439 177.5026 107 Q 4.0017 8.0729 120.8522 59.0705 29.1047 177.7643 108 A 4.0028 8.0173 121.8440 55.2178 18.3593 179.7500 109 I 3.5199 7.4362 118.1146 64.7092 37.0522 178.2895 110 H 4.2242 7.9023 117.0361 59.3203 28.5664 178.0463 111 T 3.9754 8.1332 117.5409 66.1557 68.1592 176.7266 112 L 3.8488 7.7210 122.2472 58.1912 42.1609 178.7027 113 L 3.9127 7.8941 118.9244 58.2186 41.5796 179.7804 114 L 4.0942 7.8434 118.2178 57.7400 41.5596 179.6114 115 Q 4.0704 8.0383 118.1359 58.8303 28.7964 178.7976 116 V 3.7662 8.2853 119.5331 66.0524 31.6126 178.0046 117 A 3.6059 8.2673 120.3918 54.9644 18.2010 179.5226 118 A 4.0458 8.1380 119.2744 54.8867 18.3349 179.7996 119 F 3.8662 8.3058 119.2986 61.4140 39.4706 177.3292 120 A 3.8671 7.7964 120.0699 55.2342 18.0155 179.2502 121 Y 4.3170 7.5706 115.2911 61.4896 37.9824 178.7401 122 Q 3.9567 8.1320 118.9241 59.0337 28.7352 179.0351 123 I 3.5954 7.6465 120.9156 64.0590 37.0370 178.3503 124 E 3.9619 8.2249 119.5610 59.6358 29.3779 179.2579 125 E 3.9740 8.4615 118.8426 59.1479 29.3398 179.3579 126 L 3.8807 7.9509 120.3994 58.4956 42.2587 178.7058 127 M 4.1722 8.1586 118.6585 58.6075 31.8963 178.8467 128 I 3.6413 7.7206 119.6036 64.5801 37.1622 178.6191 129 L 4.0115 7.6785 118.0369 57.1183 41.4873 178.6133 130 L 4.1042 7.9015 116.6737 53.4428 42.3581 176.0147 131 E 3.6578 7.7905 117.4227 57.7968 27.2795 173.9219 132 Y 4.8752 7.9678 115.4105 55.7352 40.2533 176.2268 133 K 4.0967 8.7114 125.4869 56.0275 32.4354 176.5883 134 I 3.8810 8.2901 128.2299 60.6421 37.5522 174.6015 135 P 4.4354 0.0000 0.0000 62.9165 31.9438 177.0150 136 R 4.2244 8.1881 119.0144 55.3765 30.2119 176.9805 137 N 4.4702 8.6849 119.6789 53.9370 39.1854 174.4762 138 E 4.6121 8.8751 123.6556 56.1131 29.5943 176.0552 139 A 4.5271 8.9814 124.5234 53.8943 20.5850 177.8724 140 D 4.9155 8.2664 116.0742 52.4933 37.6441 176.5402 141 G 4.4786 7.0913 118.8576 44.5294 0.0000 169.6466 142 M 4.0471 7.4146 116.4159 54.2925 35.9062 174.3559 *151 L 4.6226 7.3162 121.1651 54.9401 44.2236 179.0180 152 F 4.4625 8.4710 121.4359 61.5883 40.0568 176.5860 153 E 3.8769 8.4013 118.5634 59.3473 29.4318 178.6844 154 K 4.2179 8.2500 117.6783 59.6579 32.1379 178.8820 155 K 3.9738 8.2312 119.9875 58.9303 32.0700 179.2552 156 L 3.8913 8.0421 118.9485 57.4338 41.4821 179.0063 157 W 4.4013 8.8030 128.8020 60.8357 30.7297 178.1417 158 G 2.9569 8.7618 105.5678 47.4693 0.0000 175.3336 159 L 3.7356 7.4938 122.5334 57.4940 42.0829 178.9660 160 K 3.7991 7.8274 119.6646 59.3580 32.1014 178.6558 161 V 3.4152 7.3444 118.6138 66.2486 31.2255 177.9640 162 L 3.6275 7.2455 117.9092 57.7359 41.3277 179.7239 163 Q 3.8916 7.8360 117.9951 58.9092 28.5954 178.4928 164 E 4.0252 8.5670 120.1036 59.2555 29.5374 179.0450 165 L 2.8265 7.7222 120.6353 57.7072 41.5260 179.0912 166 S 3.9475 7.5401 112.7608 61.4626 62.2265 176.1187 167 Q 3.8058 8.0049 120.7621 58.8014 28.3998 178.8943 168 W 4.0612 8.5434 120.6150 59.9012 29.0923 178.6120 169 T 4.2033 7.9000 110.7278 64.0597 68.1468 176.8309 170 V 3.4429 7.3364 120.7911 65.7430 31.5939 177.6758 171 R 3.7785 7.5434 118.4464 59.7016 29.7880 178.2155 172 S 4.4476 8.7376 115.0640 62.1717 62.9818 176.9820 173 I 3.8451 7.9435 122.0455 64.6540 36.7888 178.3544 174 H 4.3093 8.1035 116.5393 58.9947 28.6162 177.4028 175 D 4.5452 8.3121 120.6793 57.6992 40.6614 179.1039 176 L 4.1119 8.5399 119.6821 57.8132 41.4586 179.8244 177 R 3.9690 8.2808 118.1338 59.0654 29.7821 178.7414 178 F 4.3419 8.1286 119.3170 61.6580 39.6542 176.9953 179 I 3.3221 7.8741 119.2813 64.1791 36.8576 178.3918 180 S 4.0974 8.4353 114.4280 61.4390 61.9386 176.3744 181 S 4.2059 7.5793 117.2398 61.3172 62.6116 175.3417 182 H 4.9191 7.5614 116.0271 55.1755 29.2363 175.6626 183 Q 4.2830 7.7951 121.5933 54.7200 27.6027 174.8879 184 T 4.5352 7.8737 113.8102 59.4105 71.4447 175.5791 185 G 3.9689 8.4235 107.2115 46.0474 0.0000 173.5222 186 I 3.9124 7.2995 121.9037 59.9296 37.4730 174.5096 187 P 4.4014 0.0000 0.0000 62.8629 31.0980 176.2113 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 11 P 0.00 4.36 0.00 1.95 2.04 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 12 H 7.94 4.82 0.00 3.18 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 9.42 3.88 0.00 1.84 2.05 0.00 3.28 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 14 R 7.98 3.92 0.00 1.84 1.99 0.00 3.13 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 15 D 8.12 4.31 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 16 L 8.31 3.95 0.00 1.98 1.70 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.20 4.13 0.00 3.21 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 18 S 8.02 4.25 0.00 4.13 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 19 R 8.23 4.04 0.00 1.97 2.04 0.00 3.05 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 20 S 8.43 4.25 0.00 4.02 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 21 I 8.06 3.83 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.12 0.99 0.00 0.00 22 W 8.64 4.16 0.00 3.49 3.42 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 23 L 8.71 4.00 0.00 2.32 2.15 1.12 1.37 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 24 A 8.07 3.78 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 25 R 7.94 3.72 0.00 1.78 1.81 0.00 3.10 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 26 K 7.65 3.54 0.00 0.79 1.45 0.00 1.29 0.00 0.00 1.18 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.17 1.42 7.81 27 I 7.54 3.62 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.96 0.79 0.00 0.00 28 R 7.52 3.77 0.00 1.71 2.06 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 29 S 7.83 4.18 0.00 3.94 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 30 D 7.79 4.35 0.00 2.86 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 3.89 0.00 1.79 1.61 0.71 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.79 3.77 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 1.18 0.00 0.00 33 A 7.81 3.95 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 34 L 8.16 4.00 0.00 1.77 1.78 0.98 1.04 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 35 T 8.47 3.98 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 1.19 0.00 0.00 36 E 8.01 3.95 0.00 2.36 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 2.32 2.40 0.00 37 S 8.32 4.05 0.00 4.15 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 38 Y 8.14 3.87 0.00 3.39 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 39 V 8.24 3.60 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 0.87 0.00 0.00 1.02 0.00 0.00 40 K 7.94 3.89 0.00 1.88 1.74 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.43 7.81 41 H 7.68 3.91 0.00 2.77 3.08 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.51 4.03 0.00 1.60 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.64 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 43 G 7.53 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 0.00 0.00 0.00 44 L 7.68 4.70 0.00 1.59 1.00 0.93 0.94 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 *64 W 8.66 5.10 0.00 3.27 3.12 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 65 S 7.98 4.37 0.00 3.74 3.60 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 E 8.49 4.69 0.00 1.95 1.89 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 2.19 2.30 0.00 67 L 7.17 4.78 0.00 1.64 1.59 1.01 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.52 4.48 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 1.26 0.00 0.00 69 E 8.88 4.03 0.00 2.05 2.14 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 2.22 2.42 0.00 70 A 7.46 3.34 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 3.94 0.00 1.98 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 2.32 2.32 0.00 72 R 8.07 4.03 0.00 2.16 2.11 0.00 3.47 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 73 L 8.03 4.06 0.00 1.84 1.75 1.07 0.96 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 74 Q 8.15 4.00 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 75 E 8.17 4.05 0.00 2.41 2.34 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 2.44 2.59 0.00 76 N 8.52 4.26 0.00 3.20 3.01 0.00 0.00 6.66 6.28 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 77 L 8.19 3.94 0.00 1.90 1.87 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.40 4.00 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 79 A 7.46 3.35 -0.02 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 80 Y 8.06 4.00 0.00 3.06 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 81 R 8.08 3.97 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 82 T 7.55 3.89 4.03 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 1.11 0.00 0.00 83 F 8.13 4.38 0.00 2.93 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 84 H 8.54 4.06 0.00 3.39 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.65 3.66 2.26 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 1.03 0.00 0.00 1.06 0.00 0.00 86 L 8.23 4.33 0.00 2.17 1.77 1.13 0.63 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 87 L 8.45 3.86 0.00 1.52 1.60 0.67 0.55 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 88 A 8.19 4.03 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 89 R 8.06 3.97 0.00 2.06 2.54 0.00 3.18 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.76 0.00 90 L 8.14 4.26 0.00 1.63 1.81 0.41 1.15 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 91 L 8.47 4.01 0.00 1.65 1.81 0.67 0.85 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 92 E 8.26 3.91 0.00 2.36 2.14 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 2.32 2.39 0.00 93 D 8.44 4.41 0.00 3.15 2.75 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 94 Q 8.50 4.46 0.00 2.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 95 Q 7.91 4.07 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.36 0.00 96 V 7.41 4.25 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 0.75 0.00 0.00 0.97 0.00 0.00 97 H 7.52 4.72 0.00 2.88 2.82 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.51 4.80 0.00 3.33 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 99 T 7.68 4.76 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 1.33 0.00 0.00 100 P 0.00 4.27 0.00 2.11 2.10 0.00 3.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 101 T 8.02 4.26 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 1.24 0.00 0.00 102 E 9.10 4.59 0.00 2.03 1.74 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 2.36 2.44 0.00 103 G 7.31 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 0.00 104 D 8.49 4.60 0.00 2.76 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 0.00 105 F 7.93 4.37 0.00 3.07 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 0.00 106 H 8.25 4.06 0.00 3.18 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.07 4.00 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 108 A 8.02 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.44 3.52 1.73 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.24 0.73 0.00 0.00 110 H 7.90 4.22 0.00 3.39 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.13 3.98 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 1.24 0.00 0.00 112 L 7.72 3.85 0.00 1.81 1.71 0.80 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.89 3.91 0.00 1.94 1.71 0.90 0.33 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 0.00 114 L 7.84 4.09 0.00 1.85 1.77 0.96 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.04 4.07 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 116 V 8.29 3.77 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 1.18 0.00 0.00 0.94 0.00 0.00 117 A 8.27 3.61 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 0.00 118 A 8.14 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 0.00 119 F 8.31 3.87 0.00 3.19 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 0.00 120 A 7.80 3.87 1.26 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 0.00 0.00 0.00 121 Y 7.57 4.32 0.00 3.12 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 0.00 122 Q 8.13 3.96 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 123 I 7.65 3.60 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.59 0.88 0.00 0.00 124 E 8.22 3.96 0.00 2.32 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 2.37 2.55 0.00 125 E 8.46 3.97 0.00 2.10 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 2.30 2.52 0.00 126 L 7.95 3.88 0.00 1.90 1.84 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 127 M 8.16 4.17 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.71 0.00 128 I 7.72 3.64 2.02 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 1.68 1.15 0.88 0.00 0.00 129 L 7.68 4.01 0.00 1.70 1.69 0.93 1.09 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 0.00 130 L 7.90 4.10 0.00 1.62 0.94 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.79 3.66 0.00 1.90 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 0.00 2.15 2.12 0.00 132 Y 7.97 4.88 0.00 2.92 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 0.00 133 K 8.71 4.10 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.55 7.81 134 I 8.29 3.88 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 1.45 0.68 0.93 0.00 0.00 135 P 0.00 4.44 0.00 2.24 1.99 0.00 3.69 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 136 R 8.19 4.22 0.00 1.83 1.71 0.00 3.27 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 137 N 8.68 4.47 0.00 2.69 2.78 0.00 0.00 6.88 7.65 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 0.00 138 E 8.88 4.61 0.00 1.96 1.90 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 2.21 2.47 0.00 139 A 8.98 4.53 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 0.00 140 D 8.27 4.92 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.09 4.48 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 0.00 142 M 7.41 4.05 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 *151 L 7.32 4.62 0.00 1.94 1.75 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.47 4.46 0.00 3.04 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 0.00 153 E 8.40 3.88 0.00 2.13 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 2.40 2.44 0.00 154 K 8.25 4.22 0.00 2.48 2.36 0.00 1.89 0.00 0.00 1.90 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.65 7.81 155 K 8.23 3.97 0.00 1.91 1.83 0.00 1.99 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.45 7.81 156 L 8.04 3.89 0.00 1.70 1.58 0.35 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 157 W 8.80 4.40 0.00 3.37 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 0.00 158 G 8.76 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 0.00 0.00 0.00 159 L 7.49 3.74 0.00 1.85 1.83 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.83 3.80 0.00 1.97 1.87 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 161 V 7.34 3.42 1.58 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 0.83 0.00 0.00 -0.05 0.00 0.00 162 L 7.25 3.63 0.00 1.63 1.46 0.52 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 7.84 3.89 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 164 E 8.57 4.03 0.00 2.12 2.30 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 2.53 2.55 0.00 165 L 7.72 2.83 0.00 0.29 1.27 0.10 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 166 S 7.54 3.95 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 Q 8.00 3.81 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 168 W 8.54 4.06 0.00 3.68 3.20 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 0.00 169 T 7.90 4.20 4.33 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 1.21 0.00 0.00 170 V 7.34 3.44 2.15 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 0.84 0.00 0.00 0.91 0.00 0.00 171 R 7.54 3.78 0.00 1.52 1.84 0.00 3.04 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.82 0.00 172 S 8.74 4.45 0.00 4.19 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 0.00 173 I 7.94 3.85 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.00 0.92 0.00 0.00 174 H 8.10 4.31 0.00 3.37 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 D 8.31 4.55 0.00 3.04 2.89 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 0.00 176 L 8.54 4.11 0.00 1.76 1.80 1.11 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 177 R 8.28 3.97 0.00 2.10 2.05 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 178 F 8.13 4.34 0.00 2.93 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 0.00 179 I 7.87 3.32 1.85 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.94 0.00 0.00 180 S 8.44 4.10 0.00 4.00 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 0.00 181 S 7.58 4.21 0.00 4.01 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 0.00 182 H 7.56 4.92 0.00 2.96 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 7.80 4.28 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 184 T 7.87 4.54 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 1.21 0.00 0.00 185 G 8.42 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 0.00 186 I 7.30 3.91 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 1.29 0.57 0.90 0.00 0.00 187 P 0.00 4.40 0.00 2.02 1.95 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.