NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5526 8.3049 118.1902 55.1972 32.5428 174.2181 2 Q 4.3946 8.8264 118.4865 51.8817 32.5821 173.5372 3 D 4.8343 8.7691 121.8506 51.0809 44.1916 176.5707 4 A 3.7607 8.3003 121.4060 55.8677 17.9998 179.6661 5 I 3.4582 7.1308 117.9109 64.3999 37.2494 178.4493 6 T 3.8487 8.9853 110.8785 64.4243 68.4285 176.3705 7 A 3.8854 8.0825 124.5245 55.0040 18.4278 179.7637 8 V 3.5298 7.3573 117.8323 65.5563 31.5532 178.0814 9 I 3.6360 7.6958 119.5785 64.6273 37.0234 177.7021 10 N 4.2254 8.3115 118.0154 56.9001 38.8422 176.9630 11 S 4.1777 7.9333 115.1738 61.4366 63.1864 176.7103 12 S 4.2047 8.2290 118.8940 61.2263 62.4595 176.0181 13 D 4.2485 8.3540 121.1582 57.3932 40.7792 178.4738 14 V 3.5383 7.6394 117.4388 65.6691 31.5114 177.1602 15 Q 4.3578 7.5357 114.7681 55.2222 28.9984 176.2090 16 G 3.8625 8.0067 107.9019 46.2626 0.0000 173.4377 17 K 4.7106 7.7179 117.7136 53.9822 34.5755 176.2601 18 Y 3.9975 8.5253 119.3880 57.3469 38.4812 175.7241 19 L 3.8654 8.6512 122.4253 55.7392 41.9090 177.9209 20 D 4.7738 8.4631 124.2905 52.1845 42.4987 176.8689 21 T 3.8464 8.4633 114.9417 67.1258 68.3062 176.1657 22 A 3.9668 8.1454 121.4549 55.2460 18.3638 179.3442 23 A 3.9206 8.3134 119.0671 55.3623 18.3972 179.8902 24 L 3.9852 8.2160 117.7174 57.8953 41.6847 179.5965 25 E 3.9823 8.4700 118.7502 59.3370 29.4284 179.5169 26 K 3.9465 8.0115 118.4243 59.3939 32.0406 179.3362 27 L 3.6828 7.9516 119.0522 57.6989 41.4999 179.5811 28 K 4.1108 8.2960 118.6237 59.7715 31.8231 179.1287 29 S 4.0981 8.3515 112.2577 61.5597 62.5111 175.4494 30 Y 4.1079 7.8908 121.9755 60.8226 38.1346 177.6643 31 F 4.5338 8.2707 119.2985 60.8735 38.8475 177.7469 32 S 4.3348 8.5103 112.7909 60.4475 63.2265 175.4295 33 T 4.4350 7.6748 112.5266 61.7070 69.4379 176.6444 34 G 3.7498 7.2774 108.7075 48.2518 0.0000 175.5534 35 E 4.0101 8.1090 120.9604 58.8655 29.5104 179.3445 36 L 4.1216 7.8884 119.0370 57.6138 41.5022 179.8725 37 R 3.8914 7.7044 117.7416 59.0828 30.0943 178.8935 38 V 3.5510 7.6769 118.0241 65.9771 31.6045 177.7078 39 R 3.8530 8.3699 118.5940 59.6437 29.8684 178.2002 40 A 3.9882 7.9926 119.9860 55.2041 18.3518 179.4786 41 A 3.9774 8.3537 119.5465 55.3855 18.3709 180.0200 42 T 3.8019 8.1625 114.5111 67.0920 68.5674 176.8420 43 T 3.8400 7.7737 117.3079 66.7687 68.4082 176.5394 44 I 3.6795 7.8607 121.2915 64.4615 36.9504 178.1597 45 A 3.9633 7.9332 119.8431 55.3890 18.2965 179.3957 46 A 4.1509 7.9686 117.6889 54.2201 18.5866 178.0714 47 N 4.8127 7.8317 113.1498 53.1167 39.3341 176.2070 48 A 3.9842 7.9193 122.2921 55.7345 18.1940 180.4937 49 A 3.9353 7.9867 117.8809 55.2243 18.5689 179.4914 50 A 3.9473 7.9857 118.8090 55.2194 18.4536 179.7717 51 I 3.6509 7.9869 118.4083 64.5596 37.2088 178.8116 52 V 3.5740 7.4962 119.0067 65.7595 31.3862 177.6813 53 K 3.8594 8.2774 119.6622 59.7950 31.9471 178.3227 54 E 3.9576 8.3470 119.1158 59.0045 29.4727 178.5001 55 A 3.9386 8.1543 120.9722 55.1195 18.4880 179.6992 56 V 3.4413 8.1733 116.8622 66.1940 31.4001 178.0204 57 A 4.1088 7.8531 118.9930 55.1841 18.2578 179.5176 58 K 4.1325 8.3415 116.6879 58.8843 32.5624 178.8428 59 S 4.6905 8.4298 112.4997 58.1372 64.0909 175.5311 60 L 4.4362 8.1375 121.1915 55.7142 43.7780 177.3009 61 L 4.0140 7.7457 116.3706 55.5708 42.0838 175.5002 62 Y 3.7131 7.9558 115.2443 59.2429 35.4212 169.8973 63 S 4.8452 7.4306 112.1151 56.3114 66.8260 174.2562 64 D 4.4346 8.5683 118.6637 57.2215 40.7139 179.2378 65 I 3.7573 7.4591 120.1925 64.0646 37.1083 177.2000 66 T 4.3257 7.5411 108.6811 62.6030 69.5678 175.3492 67 R 4.2867 7.6820 121.3206 54.2138 31.2400 173.6876 68 P 2.9700 0.0000 0.0000 64.2225 31.4305 176.4133 69 G 4.1401 9.0345 111.1539 45.4922 0.0000 174.0410 70 G 4.7608 7.7413 112.4127 45.0124 0.0000 175.6908 *72 M 4.4657 8.6409 125.0728 54.3737 33.4109 174.5915 73 Y 4.3323 7.9619 121.0624 58.4582 39.8482 174.8423 74 T 2.9621 7.4682 115.3304 62.1174 69.0383 172.8263 75 T 3.8178 8.2825 114.8148 64.8685 68.4251 176.5833 76 R 3.8665 7.7888 121.1190 59.5154 30.1751 178.5741 77 R 3.9908 7.6899 117.1276 59.0333 30.0144 178.3583 78 Y 3.8533 8.0710 119.2902 60.7086 38.8539 177.9646 79 A 4.1055 8.2792 121.4105 55.1930 18.4529 179.4420 80 A 3.9491 8.0845 119.1955 55.3379 18.4815 179.3130 81 C 3.9758 8.3175 117.6820 62.7552 31.6298 176.0111 82 I 3.7806 7.7333 114.3703 63.6875 37.1091 178.0814 83 R 3.7197 8.0234 120.9813 59.1590 29.7905 178.1801 84 D 4.4569 8.0271 118.7529 57.4843 40.8868 178.4724 85 L 4.2663 7.8946 119.3756 58.2187 41.5784 179.4157 86 D 4.3442 8.2065 118.6851 57.5385 40.7068 178.4458 87 Y 4.2736 7.6779 116.9915 61.4056 37.9313 178.2232 88 Y 4.6399 8.0872 117.9277 61.2472 38.0940 178.6509 89 L 4.1929 8.3691 121.0445 58.3895 42.3268 178.9513 90 R 3.5943 8.1367 118.6821 59.5497 29.8334 178.1275 91 Y 3.7538 8.4183 116.7027 60.7988 37.9556 177.8879 92 A 3.9700 8.6921 122.0986 55.4372 18.3621 179.8494 93 T 3.6980 7.8089 114.1080 66.8258 68.4330 176.2706 94 Y 4.2994 7.5470 118.2789 61.2615 37.8820 178.6750 95 A 3.8264 8.2221 121.6398 55.3195 18.1883 179.2670 96 M 3.3473 7.6967 115.5765 58.3974 32.3490 177.7449 97 L 4.0885 7.9933 119.4058 58.3667 42.6178 178.7341 98 A 4.1636 8.4128 120.7347 52.7404 17.9772 178.4778 99 G 4.1142 8.7071 104.9557 46.0504 0.0000 172.9223 100 D 4.6826 7.5288 117.0047 52.0937 44.1477 173.2461 101 P 4.3872 0.0000 0.0000 63.3504 32.2053 177.8425 102 S 4.0748 8.7910 116.5059 62.1041 62.4708 176.3675 103 I 3.6625 7.7687 121.3533 63.6341 37.6660 177.7428 104 L 4.0148 8.1598 120.4451 57.7052 41.0863 179.1602 105 D 4.3844 8.0573 118.3628 57.4726 40.7466 178.5515 106 E 3.9838 8.2976 117.9515 58.8210 29.6383 178.7148 107 R 4.4329 8.0579 114.8381 55.9705 31.3372 175.9253 108 V 3.9659 7.2833 114.7266 64.2564 33.9292 176.5527 109 L 3.9229 8.6836 119.8472 57.2799 41.6686 174.6801 110 N 4.2353 7.4350 117.4565 54.2218 38.2371 173.6076 111 G 3.9691 8.5809 112.3903 46.2373 0.0000 173.8846 112 L 3.6578 8.0685 123.8897 57.4695 41.9413 178.5219 113 K 3.8613 7.9043 119.3887 59.4301 31.5688 178.3109 114 E 3.9410 8.0293 117.2770 59.7839 29.5717 179.0063 115 T 3.8887 7.5433 117.0487 66.3964 68.5032 176.0916 116 Y 4.4872 8.0252 118.5399 61.3701 37.7316 178.3482 117 N 4.3789 8.2419 116.2215 56.6217 38.7963 177.3992 118 S 4.2866 8.1072 114.0438 61.0780 63.1854 175.8033 119 L 4.3691 7.9095 121.0134 54.9326 41.6723 177.7912 120 G 3.8203 8.0911 106.7061 45.3633 0.0000 173.4125 121 V 3.5253 7.5528 119.6069 61.0642 31.6371 174.4038 122 P 4.2637 0.0000 0.0000 63.1414 31.7242 176.8442 123 I 3.7352 8.3333 125.2575 64.0990 37.0956 178.2880 124 S 4.0202 8.0091 113.3429 61.4702 62.3958 175.9713 125 A 4.2885 7.8316 124.1945 54.8300 18.0780 179.6100 126 T 3.8041 7.8227 114.3109 66.7703 68.4873 177.0103 127 V 3.5260 7.9541 120.2660 65.9619 31.0247 177.9199 128 Q 3.9236 8.0399 117.5170 59.0824 28.6342 178.7843 129 A 4.2907 7.8886 122.8130 54.7808 18.4009 179.7963 130 I 3.5796 7.8979 118.2475 64.4990 37.0001 178.7075 131 Q 3.8951 8.4408 119.1971 58.8010 28.5180 178.6891 132 A 3.9424 8.1465 122.1635 55.3390 18.3528 179.5670 133 M 3.8834 7.8811 117.2685 58.1664 31.9277 178.7676 134 K 3.5454 7.3393 119.7456 59.3084 32.4064 178.4980 135 E 3.8855 7.7851 119.5522 59.2613 29.4073 178.8206 136 V 3.5847 7.5062 116.8388 66.3490 31.8811 177.7210 137 T 4.0701 8.3449 115.5652 66.7856 68.3219 176.5338 138 A 4.1443 8.2085 122.7316 54.9508 18.1543 179.5010 139 S 4.2582 7.9812 111.3475 60.4716 63.1610 175.6259 140 L 4.4708 7.6729 121.7736 56.1632 42.6660 178.1066 141 V 4.1106 7.7899 108.8316 60.2257 32.4677 177.2482 142 G 4.1392 7.5521 104.0999 45.0059 0.0000 172.7488 143 P 4.2372 0.0000 0.0000 66.1509 30.9299 178.3634 144 D 4.3186 8.0866 118.1245 56.9731 40.8164 178.6714 145 A 4.2154 8.0702 120.6630 54.8512 18.3437 179.7591 146 G 3.5978 8.4408 104.9670 47.6991 0.0000 176.0270 147 K 3.9866 8.3243 122.0919 59.3065 32.1172 178.6548 148 E 3.9762 8.3132 119.6617 59.6063 29.5515 178.7161 149 M 4.1833 8.6358 119.3475 58.2440 31.9981 178.7598 150 G 3.9132 8.4462 106.2417 47.8718 0.0000 175.6281 151 V 3.4575 7.5557 120.2357 66.3002 31.4717 177.8866 152 Y 4.1296 7.1252 115.5252 60.6564 37.6680 178.2713 153 F 4.4911 8.3778 119.2334 60.7535 38.9728 177.4590 154 D 4.4402 8.8172 119.0558 57.3248 40.5598 178.2230 155 Y 3.9148 8.2434 120.1154 60.8022 38.6417 178.1208 156 I 3.8069 7.7436 119.3541 64.6692 37.3748 177.8677 157 C 4.2276 8.2069 117.4503 63.0535 27.4833 176.4666 158 S 4.1764 8.4102 117.0584 61.3082 62.1268 176.8654 159 G 3.5921 7.7972 107.4689 46.9777 0.0000 175.1178 160 L 4.3028 7.3953 120.0768 56.4598 41.9922 176.9158 161 S 4.3053 7.4955 118.1210 58.7099 62.8059 173.8376 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 1 M 8.30 4.55 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 2 Q 8.83 4.39 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 3 D 8.77 4.83 0.00 2.77 2.64 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 4 A 8.30 3.76 0.91 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 5 I 7.13 3.46 1.87 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.89 0.86 0.00 0.00 6 T 8.99 3.85 4.18 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 1.16 0.00 0.00 7 A 8.08 3.89 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 8 V 7.36 3.53 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 1.13 0.00 0.00 0.91 0.00 0.00 9 I 7.70 3.64 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.87 0.00 0.00 10 N 8.31 4.23 0.00 2.90 2.79 0.00 0.00 7.06 8.24 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 11 S 7.93 4.18 0.00 4.05 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 12 S 8.23 4.20 0.00 4.00 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 13 D 8.35 4.25 0.00 2.81 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 14 V 7.64 3.54 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 0.88 0.00 0.00 0.99 0.00 0.00 15 Q 7.54 4.36 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.27 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 16 G 8.01 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 17 K 7.72 4.71 0.00 1.76 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.50 7.81 18 Y 8.53 4.00 0.00 2.94 2.93 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 19 L 8.65 3.87 0.00 1.69 1.71 0.96 1.05 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 20 D 8.46 4.77 0.00 2.96 2.86 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 21 T 8.46 3.85 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 22 A 8.15 3.97 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 23 A 8.31 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.99 0.00 1.87 1.77 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.47 3.98 0.00 2.12 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 2.58 2.51 0.00 26 K 8.01 3.95 0.00 1.97 1.82 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 27 L 7.95 3.68 0.00 1.82 1.51 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.30 4.11 0.00 2.08 1.95 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.59 7.81 29 S 8.35 4.10 0.00 3.89 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 30 Y 7.89 4.11 0.00 3.01 2.81 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 31 F 8.27 4.53 0.00 3.30 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 32 S 8.51 4.33 0.00 4.02 4.04 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 33 T 7.67 4.44 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 1.24 0.00 0.00 34 G 7.28 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 0.00 0.00 0.00 35 E 8.11 4.01 0.00 1.97 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 2.37 2.33 0.00 36 L 7.89 4.12 0.00 1.84 1.71 0.91 0.92 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 37 R 7.70 3.89 0.00 1.98 1.97 0.00 2.98 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 38 V 7.68 3.55 2.21 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 1.08 0.00 0.00 0.97 0.00 0.00 39 R 8.37 3.85 0.00 2.05 2.10 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 40 A 7.99 3.99 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 41 A 8.35 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.16 3.80 4.41 0.00 0.00 0.00 0.00 0.00 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 43 T 7.77 3.84 4.38 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 0.00 0.00 0.00 1.28 0.00 0.00 44 I 7.86 3.68 2.01 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 1.52 1.59 0.94 0.00 0.00 45 A 7.93 3.96 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.97 4.15 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 47 N 7.83 4.81 0.00 2.86 2.81 0.00 0.00 6.72 7.19 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 48 A 7.92 3.98 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 49 A 7.99 3.94 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 50 A 7.99 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.65 2.06 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.81 0.95 0.00 0.00 52 V 7.50 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.09 0.00 0.00 53 K 8.28 3.86 0.00 1.96 1.98 0.00 1.71 0.00 0.00 1.60 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.58 1.90 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.00 0.85 0.00 0.00 131 Q 8.44 3.90 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 132 A 8.15 3.94 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 0.00 133 M 7.88 3.88 0.00 1.70 1.85 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 134 K 7.34 3.55 0.00 1.52 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.67 7.81 135 E 7.79 3.89 0.00 2.00 2.04 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 2.30 2.31 0.00 136 V 7.51 3.58 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 0.95 0.00 0.00 0.99 0.00 0.00 137 T 8.34 4.07 4.63 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 1.41 0.00 0.00 138 A 8.21 4.14 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 0.00 139 S 7.98 4.26 0.00 4.09 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 0.00 140 L 7.67 4.47 0.00 1.83 1.77 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.79 4.11 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 0.81 0.00 0.00 1.07 0.00 0.00 142 G 7.55 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 0.00 0.00 0.00 143 P 0.00 4.24 0.00 2.29 2.36 0.00 3.72 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 2.09 2.09 0.00 144 D 8.09 4.32 0.00 2.80 2.77 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 0.00 145 A 8.07 4.22 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 146 G 8.44 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 0.00 0.00 0.00 147 K 8.32 3.99 0.00 2.02 2.02 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 8.31 3.98 0.00 2.19 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 2.41 2.60 0.00 149 M 8.64 4.18 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.82 0.00 150 G 8.45 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 0.00 151 V 7.56 3.46 1.68 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 0.43 0.00 0.00 0.84 0.00 0.00 152 Y 7.13 4.13 0.00 3.04 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 0.00 153 F 8.38 4.49 0.00 3.30 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 0.00 154 D 8.82 4.44 0.00 2.99 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 0.00 155 Y 8.24 3.91 0.00 3.13 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 0.00 156 I 7.74 3.81 2.08 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 1.69 1.06 0.71 0.00 0.00 157 C 8.21 4.23 0.00 3.16 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 0.00 158 S 8.41 4.18 0.00 3.73 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 0.00 159 G 7.80 3.59 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 0.00 160 L 7.40 4.30 0.00 1.73 1.79 0.95 0.91 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 0.00 161 S 7.50 4.31 0.00 3.99 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 * Residues marked with a * may have inaccurate shift predictions.