NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3354 8.2993 120.1389 56.5262 33.3959 175.3774 5 I 4.0686 8.2475 114.9053 59.9029 38.5954 173.3591 6 S 4.8750 8.1600 114.9754 57.4034 66.4769 174.5801 7 A 4.3327 8.7172 122.0596 52.5156 18.5855 177.2466 8 L 4.5920 7.5248 116.3527 52.8143 43.5393 176.1005 9 D 4.5641 8.2508 121.5733 53.4249 43.1454 176.9747 *13 G 3.9893 7.9984 109.5092 45.5679 0.0000 173.2986 14 E 4.3188 8.6188 124.1079 55.3418 30.4294 176.5053 15 L 4.1353 8.2148 121.2494 54.6459 42.4640 178.2192 16 S 4.3565 8.2778 116.8427 57.9105 65.1421 175.1676 17 E 3.9269 8.6771 123.2254 59.3493 29.2608 178.0643 18 P 4.2347 0.0000 0.0000 66.1741 31.2606 178.5408 19 T 3.6243 7.5895 115.7056 66.1871 68.2647 176.8704 20 K 3.8986 8.2912 120.6717 59.2819 32.0332 179.3050 21 A 4.0028 8.2339 121.2419 55.2899 18.3064 179.0299 22 Y 4.0825 8.2834 118.2961 61.0008 38.8849 178.3752 23 F 4.4764 8.5904 118.6158 60.4572 39.0883 177.4754 24 A 4.0551 8.1948 120.5663 55.1700 18.1237 179.8695 25 K 3.9143 8.0500 116.9386 59.6448 32.0919 179.2059 26 C 3.8947 7.9872 117.0677 62.8078 27.6707 175.5959 27 E 3.9085 8.0626 120.6110 59.4940 28.9143 178.8244 28 E 3.9713 7.6987 116.2234 59.5956 29.6916 179.3370 29 K 4.1383 8.0953 117.1014 58.5291 32.2434 178.5556 30 L 4.5658 8.5542 117.2725 53.7521 42.9651 177.7854 31 G 3.8943 9.1014 106.5428 44.6834 0.0000 172.8926 32 L 4.2675 6.8968 115.7339 55.6306 42.2120 174.0512 33 V 3.8722 8.0799 120.1590 60.4762 31.7526 173.9186 34 P 4.4187 0.0000 0.0000 63.4605 31.8106 177.4053 35 N 4.4490 9.3485 120.9762 56.1353 38.5330 177.9058 36 V 3.4794 8.4153 121.1950 64.8709 30.9577 178.5643 37 L 4.1587 7.6984 118.7249 57.4574 41.8000 179.1053 38 K 4.2986 8.0282 117.7909 59.6082 31.8366 178.9758 39 A 4.0768 8.0390 119.7971 55.4408 18.6103 178.9148 40 Y 3.8367 8.1736 113.5782 59.8559 37.7865 177.5478 41 A 4.2621 7.8981 121.4314 53.8404 18.5750 178.2860 42 F 4.3163 8.1785 111.5416 58.5905 38.5463 175.5932 43 D 4.3553 7.4754 121.6235 52.1163 43.7779 175.1149 44 D 4.3776 8.8267 130.6212 57.5864 40.9096 179.2934 45 K 3.8928 7.9493 124.0235 59.9204 31.6187 182.5845 46 K 4.2520 8.0147 119.5270 58.9154 31.9986 179.0258 47 L 3.9300 7.9496 120.6243 58.2624 41.9403 179.0632 48 R 3.7843 8.5226 117.9328 59.4037 30.1749 178.8021 49 A 3.9731 7.9814 120.2428 55.0954 18.2611 179.3697 50 F 3.9929 8.3467 119.4015 61.7544 39.4718 177.5866 51 T 3.6651 8.1039 109.4718 64.5542 68.6250 176.1483 52 D 4.2819 8.3017 122.1226 57.4102 40.9236 178.8914 53 I 3.6157 7.4551 119.7171 64.1922 36.8441 177.7876 54 Y 3.3409 7.5994 119.7154 60.7662 38.6969 177.8118 55 N 4.4339 8.0338 115.8577 56.0920 38.9327 176.8014 56 D 4.3822 7.8255 119.2653 57.1221 41.2328 177.5907 57 L 3.8877 7.2058 116.7103 56.7060 41.9160 177.1877 *59 L 4.2068 7.8113 116.8084 54.9765 43.5223 177.0406 60 G 3.8044 7.5572 107.1771 44.4664 0.0000 172.7430 61 E 4.0531 8.3853 120.4323 56.1636 30.1095 175.6294 62 S 4.5729 8.0564 118.1218 57.4252 65.0501 174.8083 63 G 4.0010 8.5424 111.8476 46.1671 0.0000 173.7445 64 L 4.5838 7.8591 121.2508 53.4853 42.4719 177.4745 65 S 4.4375 8.8347 118.5392 57.9912 65.2423 175.7304 66 K 4.0002 8.4435 120.9113 59.1935 31.4771 179.5216 67 L 3.9416 7.7791 119.7484 58.1012 42.2339 177.8166 68 D 4.5591 7.8897 117.7725 57.9419 41.1363 179.2058 69 R 4.1210 7.7090 117.5980 58.7821 30.1086 179.3357 70 E 3.9590 7.9553 118.0879 56.2719 29.4739 179.2992 *72 I 3.8756 7.7970 120.3474 61.4423 39.4903 177.7567 73 A 3.1039 7.6139 121.8586 55.2374 17.8583 179.9375 74 V 3.4868 7.6225 116.0534 65.7465 31.7233 178.1525 75 A 4.0383 7.7647 120.1963 54.9922 18.3118 179.5024 76 V 3.5392 7.8189 116.7519 66.5009 31.5757 178.5720 77 S 4.9000 7.9681 115.9654 60.9389 62.0807 176.7973 78 S 4.0787 8.2157 116.1475 61.3819 61.9814 176.0762 79 I 3.6850 7.3938 120.8786 64.4000 37.0144 177.4563 80 N 4.5810 8.1199 113.7742 52.8313 39.2361 174.5331 81 H 4.0157 7.4600 116.2647 56.6915 27.1377 175.8803 82 C 4.4768 8.3470 119.8699 58.5672 32.1573 171.8505 83 Y 4.2573 8.6920 129.7427 60.9778 38.5685 176.6405 84 Y 3.5433 8.1859 119.9383 61.2514 38.6796 178.1142 85 C 4.3811 8.2342 116.7109 62.7633 28.5674 175.8962 86 L 3.9876 8.1788 120.7225 57.9602 41.1013 179.8357 87 T 3.6903 7.6979 115.4062 66.5090 68.2785 176.8013 88 A 2.5800 7.4519 122.5493 54.9962 18.3165 179.3367 89 H 4.3491 8.3366 114.9691 58.1050 28.8843 178.0697 90 G 3.6672 7.8594 107.4002 48.0040 0.0000 175.4026 91 A 4.0300 7.6842 123.0736 54.6687 18.2127 179.6065 92 A 3.9463 7.6738 119.1040 55.2341 18.4191 179.9733 93 V 3.5217 8.1451 117.1595 66.2019 31.5844 178.4551 94 R 3.9007 8.0390 117.6768 59.2370 29.7134 178.8054 95 Q 3.9498 8.1390 118.1597 59.3785 29.2299 178.0045 96 L 4.1577 8.0278 119.1173 57.6610 41.7400 179.2501 97 S 4.4088 8.3288 113.2208 58.6582 63.3198 175.3564 98 G 3.8004 8.1246 109.1189 45.7712 0.0000 172.9556 99 D 4.7258 7.7043 119.2743 50.9282 42.3634 174.4863 100 P 4.2439 0.0000 0.0000 65.4083 31.1914 178.0037 101 A 3.9885 8.1696 118.0399 55.5487 18.1823 179.0309 102 L 4.1675 7.8517 117.0930 57.9904 42.4490 178.8793 103 G 3.9418 8.1331 105.3436 47.8892 0.0000 176.0491 104 E 3.9590 7.6072 117.0030 56.6732 29.3326 178.0164 *106 L 4.4583 7.8475 121.0658 55.0421 43.4953 178.3730 107 V 3.5296 7.6925 114.7919 64.2964 31.3908 175.1079 *109 N 4.3828 7.9404 117.2944 53.6325 38.9112 174.4335 110 F 4.2651 8.6067 122.1398 59.6403 38.0863 177.7478 111 R 3.9824 6.7885 119.3049 58.6047 29.7977 177.4564 112 A 4.1686 8.0006 119.3029 53.4205 18.8387 178.4315 113 A 4.0165 8.3297 119.1487 53.3307 19.1382 176.7699 114 D 4.3369 8.0578 112.6648 54.8688 36.6947 173.2274 115 L 4.5912 7.3680 118.8278 53.1350 44.0201 177.6686 116 S 4.3851 9.4711 116.7630 58.0148 64.7845 173.7545 117 P 4.2659 0.0000 0.0000 65.3041 30.7437 179.1343 118 R 3.8464 7.8132 116.6244 59.6657 30.2627 178.1075 119 Q 4.2194 8.0169 116.3963 59.2754 28.8866 178.7416 120 T 4.1271 8.3062 116.7336 66.3957 68.6054 176.7222 121 A 4.2226 7.9915 119.1623 53.5822 18.4344 178.8529 *123 L 3.9998 7.8264 121.5235 55.8552 43.9363 179.2025 124 E 4.0558 8.3885 118.2572 59.3596 29.2194 179.2485 125 F 4.0898 8.2559 120.2473 61.1056 39.4979 177.2301 126 A 3.9218 7.9071 120.0528 54.7622 18.1881 179.7034 127 V 3.4773 7.9190 117.0946 66.0136 31.7073 178.2102 128 K 3.8239 7.7416 118.9477 59.4785 31.8535 178.4177 129 L 3.8384 7.3274 119.2378 58.3398 41.8877 178.8938 130 T 4.0306 7.4407 114.8548 66.4977 68.5836 176.3047 131 E 4.3454 8.4371 119.6027 57.6753 31.4192 177.3351 132 E 4.7604 8.5352 116.8180 54.1221 30.5437 173.7238 133 P 4.1022 0.0000 0.0000 66.2813 32.0565 179.2673 134 A 3.9744 8.0680 120.7683 54.5180 18.1552 177.9066 135 K 4.4498 7.7195 112.5872 56.0651 32.5310 176.6715 136 I 4.0013 7.4320 121.1632 61.5052 37.5492 175.6890 137 V 4.5969 9.0822 117.6260 58.5832 35.9512 175.9678 138 E 3.9701 8.8474 119.6584 59.7014 29.1948 178.2699 139 A 4.1747 8.1394 120.2953 55.3517 18.2435 179.2534 140 D 4.4368 8.2409 117.4470 57.6781 41.0640 179.1805 141 R 3.8234 8.0787 117.9565 59.0326 30.1643 178.7438 142 A 4.0403 8.6325 120.9535 55.0445 18.0273 179.5495 143 A 4.0446 8.1144 119.3802 54.9781 18.3697 180.0246 144 L 4.1251 7.4538 117.2366 58.1169 41.7489 179.4991 145 R 4.2259 7.7491 119.1039 58.8198 29.8767 179.3425 146 K 3.9803 8.0691 116.0635 58.8156 32.0866 178.3544 147 A 4.3475 7.3380 118.7187 51.7332 19.0010 177.6916 148 G 3.8759 7.7006 105.0749 44.9474 0.0000 174.1297 149 F 4.6493 8.1719 120.2589 56.6139 39.8474 175.8749 150 S 4.4257 8.8479 120.7076 58.0146 65.0298 175.1320 151 D 4.3907 8.6317 122.0332 57.7399 40.4972 179.2018 152 R 3.9896 7.9513 118.6188 59.2917 30.0124 178.1241 153 D 4.4090 8.1923 119.0438 57.1751 40.7359 178.6134 154 I 3.3796 7.8107 120.3803 64.0262 37.0494 177.8494 155 W 4.1997 8.2514 129.1225 60.9916 30.3643 177.7603 156 D 4.4021 8.2606 118.4359 57.2558 40.2414 178.8115 157 I 3.5609 8.3896 120.6274 64.3461 37.0356 178.2540 158 A 4.1649 8.1916 121.9012 55.3741 18.1847 179.9562 159 S 3.8229 8.0304 113.7098 61.8006 62.9883 176.8582 160 T 3.9114 8.0249 118.2672 66.7379 68.1591 176.3390 161 A 4.0886 8.0949 122.2104 55.2239 18.1839 179.3886 162 A 3.9145 8.0817 118.3422 55.3020 18.5186 179.2204 163 F 4.1147 8.0504 117.7505 61.6312 39.7010 177.2028 164 F 3.9949 8.2571 116.3139 59.5482 37.1652 176.9916 165 N 4.7790 7.7423 115.6320 53.8308 38.4139 177.0935 *167 S 4.4196 8.0476 118.4624 58.6983 65.2395 176.0633 168 N 4.3986 8.4013 117.7893 56.4532 38.1017 177.7484 169 R 3.9492 7.4774 119.1212 59.0136 29.9234 179.1180 170 V 3.5025 7.6957 117.3482 65.8792 31.4967 177.6740 171 A 3.9117 8.1058 120.2491 55.2372 18.0402 179.5326 172 A 3.9816 8.0632 117.8268 55.1916 18.5222 179.2716 173 A 4.1018 8.2199 119.0367 54.5134 18.7152 178.8951 174 I 4.0937 7.4534 108.5960 58.8200 38.5857 171.3097 175 D 4.3621 7.4252 127.6756 53.7343 42.7259 172.4633 *177 R 4.3058 8.3792 123.3380 55.3511 31.2067 173.8516 178 P 4.1314 0.0000 0.0000 61.8448 32.2486 175.9042 179 N 4.3818 8.5269 117.0972 53.2125 39.3157 175.8259 180 D 4.3582 8.7824 121.1898 57.7244 41.1330 178.6124 181 E 3.9528 7.9856 118.4031 59.4512 29.1594 178.6250 182 Y 4.3600 7.2474 116.0861 61.4151 37.8935 178.0318 183 H 4.5674 7.9921 116.2023 57.5422 29.7471 175.7689 184 A 4.2604 7.3076 122.9368 50.6076 17.5426 176.9695 *186 A 4.1684 7.7964 129.4890 52.0734 20.2096 177.4325 187 R 4.2379 7.9341 124.5429 56.9568 30.3869 177.1317 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 4 K 8.30 4.34 0.00 2.05 2.00 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 5 I 8.25 4.07 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.49 0.94 0.00 0.00 6 S 8.16 4.87 0.00 4.06 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.72 4.33 1.34 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 0.00 0.00 0.00 0.00 0.00 8 L 7.52 4.59 0.00 1.56 1.47 0.82 0.80 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 9 D 8.25 4.56 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 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 0.00 0.00 0.00 14 E 8.62 4.32 0.00 1.98 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 2.33 2.34 0.00 15 L 8.21 4.14 0.00 1.60 1.49 1.02 0.99 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 16 S 8.28 4.36 0.00 4.00 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 17 E 8.68 3.93 0.00 1.98 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 2.39 2.32 0.00 18 P 0.00 4.23 0.00 2.20 2.28 0.00 3.57 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 2.01 2.02 0.00 19 T 7.59 3.62 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 0.43 0.00 0.00 20 K 8.29 3.90 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.61 7.81 21 A 8.23 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 22 Y 8.28 4.08 0.00 3.14 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 23 F 8.59 4.48 0.00 3.12 3.03 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 0.00 24 A 8.19 4.06 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 25 K 8.05 3.91 0.00 1.90 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 26 C 7.99 3.89 0.00 3.05 3.02 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 E 8.06 3.91 0.00 2.16 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 0.00 2.30 2.39 0.00 28 E 7.70 3.97 0.00 2.15 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 2.34 2.34 0.00 29 K 8.10 4.14 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.45 7.81 30 L 8.55 4.57 0.00 1.73 1.65 0.91 1.00 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 31 G 9.10 3.89 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 0.00 0.00 0.00 32 L 6.90 4.27 0.00 1.49 1.41 0.66 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.08 3.87 1.77 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 -0.11 0.00 0.00 0.81 0.00 0.00 34 P 0.00 4.42 0.00 2.27 2.15 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 35 N 9.35 4.45 0.00 3.09 3.02 0.00 0.00 6.38 7.75 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 36 V 8.42 3.48 1.72 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 0.87 0.00 0.00 0.41 0.00 0.00 37 L 7.70 4.16 0.00 1.79 2.09 1.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 4.30 0.00 1.99 1.92 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.22 7.81 39 A 8.04 4.08 1.27 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 0.00 0.00 0.00 40 Y 8.17 3.84 0.00 3.20 2.94 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 41 A 7.90 4.26 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 0.00 0.00 0.00 0.00 0.00 42 F 8.18 4.32 0.00 3.14 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 43 D 7.48 4.36 0.00 2.22 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 0.00 0.00 0.00 44 D 8.83 4.38 0.00 2.66 2.62 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 45 K 7.95 3.89 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.37 7.81 46 K 8.01 4.25 0.00 1.86 2.07 0.00 1.39 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.55 7.81 47 L 7.95 3.93 0.00 1.89 1.81 1.15 0.75 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 48 R 8.52 3.78 0.00 2.04 1.93 0.00 3.26 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 49 A 7.98 3.97 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 50 F 8.35 3.99 0.00 2.53 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 51 T 8.10 3.67 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 1.37 0.00 0.00 52 D 8.30 4.28 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 53 I 7.46 3.62 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 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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 1.27 0.79 0.92 0.00 0.00 73 A 7.61 3.10 0.34 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 0.00 0.00 0.00 0.00 0.00 74 V 7.62 3.49 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 1.02 0.00 0.00 0.94 0.00 0.00 75 A 7.76 4.04 1.17 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 0.00 0.00 76 V 7.82 3.54 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 1.14 0.00 0.00 0.96 0.00 0.00 77 S 7.97 4.90 0.00 4.06 3.96 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 78 S 8.22 4.08 0.00 4.06 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 79 I 7.39 3.69 2.03 0.00 0.00 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 1.56 0.70 0.91 0.00 0.00 80 N 8.12 4.58 0.00 2.90 2.89 0.00 0.00 7.20 7.52 0.00 0.00 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 H 7.46 4.02 0.00 3.34 3.37 0.00 5.65 0.00 0.00 0.00 0.00 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.35 4.48 0.00 3.07 2.94 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 83 Y 8.69 4.26 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 84 Y 8.19 3.54 0.00 3.07 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 85 C 8.23 4.38 0.00 3.18 3.16 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 86 L 8.18 3.99 0.00 1.79 1.75 1.07 0.63 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 87 T 7.70 3.69 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 0.95 0.00 0.00 88 A 7.45 2.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.35 0.00 3.23 3.32 0.00 5.64 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 90 G 7.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.68 4.03 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 92 A 7.67 3.95 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 93 V 8.15 3.52 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 1.13 0.00 0.00 0.91 0.00 0.00 94 R 8.04 3.90 0.00 2.07 2.12 0.00 3.30 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 95 Q 8.14 3.95 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 96 L 8.03 4.16 0.00 1.76 1.73 0.94 1.07 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 97 S 8.33 4.41 0.00 4.03 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2.39 0.00 3.68 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 2.04 1.93 0.00 134 A 8.07 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.72 4.45 0.00 1.83 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 136 I 7.43 4.00 1.87 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 1.01 0.00 0.00 137 V 9.08 4.60 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 0.87 0.00 0.00 1.00 0.00 0.00 138 E 8.85 3.97 0.00 2.10 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 2.40 2.47 0.00 139 A 8.14 4.17 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 0.00 140 D 8.24 4.44 0.00 3.08 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 0.00 141 R 8.08 3.82 0.00 2.01 1.96 0.00 3.32 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 142 A 8.63 4.04 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 0.00 143 A 8.11 4.04 1.45 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 0.00 0.00 0.00 144 L 7.45 4.13 0.00 1.95 1.73 -0.02 0.73 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 0.00 145 R 7.75 4.23 0.00 2.05 2.01 0.00 3.15 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 146 K 8.07 3.98 0.00 1.91 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.62 7.81 147 A 7.34 4.35 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 0.00 148 G 7.70 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 0.00 149 F 8.17 4.65 0.00 3.20 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 0.00 150 S 8.85 4.43 0.00 4.09 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 0.00 151 D 8.63 4.39 0.00 2.79 2.79 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 0.00 152 R 7.95 3.99 0.00 1.88 1.92 0.00 3.17 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 153 D 8.19 4.41 0.00 3.01 2.73 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 0.00 154 I 7.81 3.38 1.99 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 1.18 0.78 0.63 0.00 0.00 155 W 8.25 4.20 0.00 3.45 3.27 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 0.00 156 D 8.26 4.40 0.00 2.91 2.71 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 0.00 0.00 0.00 0.00 157 I 8.39 3.56 1.69 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.47 0.84 0.00 0.00 158 A 8.19 4.16 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 0.00 159 S 8.03 3.82 0.00 3.83 3.74 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 0.00 160 T 8.02 3.91 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 1.35 0.00 0.00 161 A 8.09 4.09 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 0.00 162 A 8.08 3.91 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 0.00 163 F 8.05 4.11 0.00 2.97 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 0.00 164 F 8.26 3.99 0.00 3.26 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 0.00 165 N 7.74 4.78 0.00 2.83 2.80 0.00 0.00 6.79 8.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *167 S 8.05 4.42 0.00 3.77 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 0.00 168 N 8.40 4.40 0.00 2.83 2.92 0.00 0.00 7.07 8.51 0.00 0.00 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 R 7.48 3.95 0.00 1.92 1.95 0.00 3.31 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 170 V 7.70 3.50 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 0.95 0.00 0.00 0.90 0.00 0.00 171 A 8.11 3.91 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 0.00 172 A 8.06 3.98 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 0.00 173 A 8.22 4.10 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 0.00 174 I 7.45 4.09 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.88 0.00 0.00 175 D 7.43 4.36 0.00 2.93 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 *177 R 8.38 4.31 0.00 2.08 2.04 0.00 3.70 0.00 0.00 3.54 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 178 P 0.00 4.13 0.00 1.80 0.99 0.00 3.71 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.00 179 N 8.53 4.38 0.00 2.33 2.71 0.00 0.00 6.49 8.08 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 0.00 180 D 8.78 4.36 0.00 2.79 2.66 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 0.00 0.00 0.00 181 E 7.99 3.95 0.00 1.80 1.83 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 2.29 2.38 0.00 182 Y 7.25 4.36 0.00 2.80 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 0.00 183 H 7.99 4.57 0.00 3.20 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.31 4.26 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 *186 A 7.80 4.17 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 0.00 187 R 7.93 4.24 0.00 1.82 1.85 0.00 3.43 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.