NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.2612 8.1727 121.7905 56.4739 34.1646 177.7157 6 L 3.8370 7.7932 119.9605 57.5194 41.7791 177.2551 7 K 3.9550 8.3911 119.2009 59.3250 32.4952 178.2387 8 A 4.1057 7.8511 119.7450 54.8874 18.4901 179.0808 9 A 4.0518 7.9177 118.3909 53.7997 18.7842 178.2802 10 L 4.0191 6.7952 117.0282 54.0890 42.2166 175.6412 11 P 4.3088 0.0000 0.0000 62.1364 32.1771 176.0271 12 E 4.0893 7.8892 117.3252 58.4981 29.6595 177.2190 13 Y 4.4730 6.7567 114.4270 57.1360 38.8923 175.3073 14 A 4.8731 7.1728 124.1555 51.7961 19.9988 179.0240 15 K 3.9774 8.1963 122.2472 60.7899 32.3788 178.4356 16 D 4.3648 8.1091 118.6404 57.4994 40.7629 178.8185 17 I 3.6712 7.7102 119.6200 64.1567 37.2683 178.0096 18 K 3.8167 8.0168 120.3873 59.6578 31.9486 178.5546 19 L 3.9759 8.1957 120.6792 58.1239 41.9113 178.5534 20 N 4.3592 8.5867 118.2865 55.6829 38.4765 177.0170 21 L 3.8852 8.3581 122.1009 58.1920 41.8580 179.2141 22 S 4.0950 7.6727 114.2152 61.5904 63.0194 176.3683 23 S 4.2498 8.2333 116.9342 61.6432 62.6656 176.2413 24 I 3.6700 7.9991 122.7372 63.9325 37.4786 177.6788 25 T 3.7495 7.5919 112.1469 64.0477 67.1863 175.2915 26 R 4.4746 7.4211 117.8953 54.6616 30.7941 175.9072 27 S 3.9600 7.0578 113.6441 58.9019 62.6121 174.3352 28 S 4.6449 8.5096 120.2847 58.4055 64.0668 175.3640 29 V 3.7510 7.8382 120.9599 65.0860 31.6290 175.7570 30 L 4.6940 7.4187 118.4091 52.7259 43.3404 176.7147 31 D 4.7170 8.3840 122.8603 52.8601 41.7330 177.3035 32 Q 4.1400 8.7366 118.4202 59.3168 28.5894 179.1659 33 E 4.1463 8.3788 119.5611 59.4146 29.9939 178.3341 34 Q 4.3067 9.2199 118.5023 59.1761 28.8897 178.9713 35 L 3.8600 8.7762 121.5233 58.1990 42.1290 179.1071 36 W 4.0780 8.5094 118.7096 59.0793 28.9167 179.0128 37 G 2.4120 8.3671 106.2531 47.3622 0.0000 176.0053 38 T 3.8529 7.6621 117.5467 66.3538 68.5412 176.6320 39 L 3.8006 7.6155 120.7055 57.7076 41.6150 179.4303 40 L 3.8842 7.9918 120.0127 58.1111 42.0424 178.8413 41 A 3.8849 8.0105 121.0535 55.1783 18.3016 179.7693 42 S 4.0014 8.3956 113.8375 61.6431 62.9433 176.7122 43 A 3.9526 8.3868 123.5850 55.2175 18.1441 179.5531 44 A 3.9296 8.1763 119.0331 55.2509 18.2441 179.7254 45 A 4.0399 7.8881 118.3532 54.9658 18.4757 179.3437 46 T 3.9918 7.5034 106.6536 62.3941 69.1900 175.9607 47 R 3.7908 7.6230 118.8110 56.4497 28.7209 175.2913 48 N 4.6445 7.8760 118.3273 51.9031 39.2395 173.5906 49 P 4.2393 0.0000 0.0000 66.0508 31.4879 178.5865 50 Q 3.9842 8.0312 116.0950 58.9380 28.5669 178.9922 51 V 3.6007 7.6861 118.8155 65.8813 31.6964 177.7020 52 L 3.9285 7.9662 119.9334 57.8705 41.7922 178.8158 53 A 3.9679 8.2031 120.8665 55.3928 18.4289 179.4237 54 D 4.3130 8.1931 117.2626 57.5729 40.8349 179.2079 55 I 4.0278 8.2478 120.8516 64.4094 37.1486 178.7893 56 G 3.4367 8.3995 106.4583 47.5822 0.0000 175.4530 57 A 3.9471 8.0432 122.6439 55.1591 18.7574 179.1196 58 E 3.8194 8.2063 116.2335 59.3803 29.4969 179.3721 59 A 3.6001 8.5276 121.3132 55.5904 17.9413 179.4633 60 T 3.7347 7.6596 110.7198 65.1877 66.9432 174.7514 61 D 5.0688 7.3940 118.8254 54.5078 40.9274 176.5574 62 H 4.8082 8.1695 115.0381 55.3255 33.7540 173.5758 63 L 4.8639 7.1382 118.7778 52.4355 44.3663 177.0694 64 S 4.4673 8.3960 116.7770 57.4713 65.4481 175.1422 65 A 3.8408 8.5160 124.3843 55.5742 18.1121 179.8820 66 A 3.9251 8.0342 118.2721 55.2156 18.3577 179.5796 67 A 4.1952 8.0107 119.1198 55.4713 18.5771 179.6894 68 R 3.8051 8.3847 116.9788 60.1876 30.2219 179.0011 69 H 4.2854 8.6500 115.6175 58.8781 28.5877 177.8252 70 A 4.3103 8.3685 122.5202 54.9851 18.3581 179.5786 71 A 3.9670 8.4816 119.8466 55.3636 18.3339 179.9441 72 L 4.0932 8.1831 117.7118 57.7942 41.6278 179.9847 73 G 3.7216 8.5072 105.6151 47.5178 0.0000 175.7320 74 A 4.0661 8.2138 122.4814 54.8157 18.3710 179.3048 75 A 4.0462 7.6285 117.8523 55.1717 18.5811 179.2959 76 A 4.1922 7.9361 118.2232 55.1960 18.6355 181.8642 77 I 4.0843 7.7826 110.0502 61.0769 37.8523 176.9711 *79 G 3.7734 7.8943 106.8989 46.6642 0.0000 173.9085 *81 N 4.9661 7.9838 118.4286 53.2647 40.4184 176.5614 82 N 4.3891 8.1480 114.8674 55.8410 38.4541 177.4093 83 V 3.6968 7.6878 119.3398 65.4996 31.8655 177.4252 84 F 3.9457 8.0538 119.7959 61.6903 39.2665 176.5479 85 Y 3.6746 8.1058 116.4328 60.7227 37.6246 178.6081 86 R 3.6292 7.4779 119.9755 59.1568 29.9284 178.7588 87 G 3.4060 7.5416 104.1934 47.8698 0.0000 175.4040 88 R 3.9793 7.6870 120.9950 58.8943 29.9557 179.4759 89 G 3.6160 7.9763 105.4405 47.6521 0.0000 175.7541 90 F 4.7931 7.8528 119.0201 59.5093 39.0042 176.4554 91 L 4.6146 7.6765 118.1585 54.0026 43.0638 176.5650 92 E 3.6834 8.9372 114.4545 57.5738 28.9158 175.9538 93 G 4.4654 8.0021 105.1509 47.1178 0.0000 174.8398 94 R 3.9931 8.2587 118.8915 58.5659 30.2996 176.9675 95 Y 4.5938 7.8966 113.8969 57.6541 38.8928 177.1148 96 D 4.5587 8.5352 123.3926 57.0103 41.0735 178.4314 97 D 4.4331 8.0354 117.7586 55.5092 39.8554 176.7326 98 L 4.3349 7.4756 119.4436 53.9389 42.3956 176.6953 99 R 4.2035 8.4268 121.8401 55.3483 30.8035 174.5307 100 P 4.1728 0.0000 0.0000 65.8681 31.3190 177.9542 101 G 3.8165 8.0597 102.3643 46.0429 0.0000 172.5296 102 L 4.4247 7.4445 119.0533 52.4723 42.9024 176.7789 103 R 4.1383 8.3863 123.4796 56.6098 31.2890 177.5258 104 M 4.7472 8.0102 118.9092 52.9254 31.3512 175.8310 105 N 4.3772 8.0936 118.2869 57.1757 39.6423 175.0573 106 I 3.6828 7.8081 119.6297 63.6292 37.7106 177.8323 107 I 3.2939 7.0586 119.3176 64.3166 37.1588 177.8281 108 A 4.1950 7.8902 119.6390 53.6356 19.6285 177.0080 109 N 4.8181 7.9091 115.2066 50.9735 38.5991 171.9069 110 P 4.4061 0.0000 0.0000 65.2380 32.1087 177.3584 111 G 3.4324 7.2244 111.6438 44.0442 0.0000 172.4420 112 I 4.7026 7.1606 112.7809 57.4558 41.0156 172.8533 113 P 4.1407 0.0000 0.0000 63.2601 31.2559 176.5718 114 K 3.7375 9.0826 123.4256 59.9125 31.9862 178.1000 115 A 3.8981 8.0740 120.0085 55.4897 18.0845 179.1976 116 N 3.7261 8.0848 115.0018 55.8107 38.4865 177.4961 117 F 3.7675 7.6346 121.5752 61.2240 39.5051 176.9069 118 E 3.9308 8.4852 118.6179 59.2299 29.2181 179.1367 119 L 3.8969 7.3822 120.0208 57.8250 42.0829 179.1208 120 W 4.4506 7.7144 118.9802 59.8625 28.9342 178.7886 121 S 3.9858 8.1869 115.5464 61.2429 62.1256 176.5602 122 F 4.0606 8.4005 123.3647 61.2840 39.2659 176.9425 123 A 3.9384 8.3222 120.3966 55.2645 18.0898 179.8389 124 V 3.5035 7.9678 116.6630 66.2682 31.6299 178.4098 125 S 4.0751 8.2929 114.8718 61.4221 62.3297 176.7077 126 A 3.7865 7.3878 122.8554 55.0752 18.1747 179.4248 127 I 3.7555 7.1405 116.6775 64.6270 37.3021 178.1691 128 N 4.5199 8.4048 115.9607 53.4992 39.1688 174.8874 129 G 3.5469 7.8861 107.6477 47.3011 0.0000 174.8956 130 C 4.5697 7.5639 119.1552 57.0421 33.4519 172.7163 131 S 4.0528 8.4682 124.6163 61.7265 62.7343 175.4004 132 H 3.9354 8.2502 121.6264 59.4252 29.3888 176.7482 133 C 4.0968 8.0365 117.6558 62.3878 28.0813 175.6342 134 L 3.9182 8.1267 122.4970 58.0259 41.5849 179.5164 135 V 3.6169 8.2007 119.3440 64.7075 31.4612 178.1262 136 A 3.7812 7.8031 121.6698 55.1915 18.1087 179.4207 137 H 4.3984 8.4573 114.9840 58.8019 28.7381 177.6803 138 E 3.8614 8.6065 121.3274 59.5866 29.5369 178.5849 139 H 4.1717 8.5905 116.5202 59.2589 28.7902 177.9010 140 T 3.8826 7.9884 117.4090 66.5051 68.2015 176.4071 141 L 3.9221 8.1179 121.1052 58.1292 41.8376 179.9150 142 R 4.0272 7.9000 117.5850 59.7095 29.7792 179.3324 143 T 3.9547 7.8541 114.3501 65.9055 68.3909 175.8336 144 V 4.3215 7.6306 112.8823 61.0861 32.7403 177.0719 145 G 3.8473 7.7896 105.4445 45.5092 0.0000 174.2405 146 V 3.9244 7.7144 120.3485 61.3531 32.3687 175.6786 147 D 4.5525 8.4562 127.0194 52.7509 40.3273 177.4261 148 R 3.9431 8.5758 118.3763 59.5196 29.1281 178.9570 149 E 3.9932 8.2181 118.8868 59.2973 29.5094 178.8870 150 A 4.0293 8.6649 121.2427 55.0719 18.4324 179.7689 151 I 3.3461 7.6983 118.3992 64.3965 37.0728 178.3523 152 F 4.2749 8.7295 121.8158 61.3923 39.0994 176.7077 153 E 3.8671 8.4484 118.7156 59.2203 29.3242 178.7306 154 A 4.0149 7.9838 120.9423 54.9689 18.4543 179.3768 155 L 3.9602 8.2072 118.9917 58.1689 42.1009 179.3812 156 K 3.7396 8.1818 118.5817 59.2400 31.9766 179.0864 157 A 3.8642 8.1451 120.9514 55.1223 18.3023 179.3822 158 A 4.1767 8.4081 120.4594 54.6241 18.4119 179.7378 159 A 3.8434 7.8556 119.0212 55.3100 18.4179 179.7091 160 I 3.5811 7.9128 118.6837 64.7679 37.2114 178.8037 161 V 3.5487 8.1556 119.1582 66.1105 31.2499 178.2092 162 S 4.1984 8.1730 115.1268 61.3513 62.5694 176.8109 163 G 3.6097 8.1781 108.4507 47.7992 0.0000 175.7176 164 V 3.5727 8.0858 121.2283 65.6838 31.4587 177.8942 165 A 3.9654 8.1322 120.4141 55.1074 18.2318 179.4242 166 Q 3.8433 8.2736 117.7514 59.3530 28.7701 178.0750 167 A 4.0946 8.2966 122.1979 55.4054 18.4519 179.4140 168 L 3.9612 8.3201 118.6320 58.0076 42.2267 178.9774 169 A 4.0473 8.3243 121.3995 55.0483 18.2933 179.7212 170 T 3.8346 7.9537 108.5554 65.1017 68.6945 176.8887 171 I 3.8100 7.3056 114.6337 63.4267 37.6087 177.6951 172 E 4.0876 7.9961 119.2140 59.1687 29.4315 178.9052 173 A 4.2380 7.9138 118.9180 53.5370 18.5942 177.7998 174 L 4.7742 7.7186 117.4125 54.6798 42.5648 176.8221 175 S 4.2803 8.0062 120.0271 58.8303 63.7280 174.1862 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 5 K 8.17 4.26 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 6 L 7.79 3.84 0.00 1.90 1.66 0.97 0.22 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 7 K 8.39 3.95 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 8 A 7.85 4.11 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 9 A 7.92 4.05 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 10 L 6.80 4.02 0.00 1.68 1.55 0.90 1.00 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 11 P 0.00 4.31 0.00 0.55 1.14 0.00 3.50 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 12 E 7.89 4.09 0.00 1.86 1.95 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 2.18 2.18 0.00 13 Y 6.76 4.47 0.00 3.04 3.10 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 A 7.17 4.87 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 15 K 8.20 3.98 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.72 1.47 7.81 16 D 8.11 4.36 0.00 2.69 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 17 I 7.71 3.67 2.02 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 1.54 0.86 0.92 0.00 0.00 18 K 8.02 3.82 0.00 1.91 2.03 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 19 L 8.20 3.98 0.00 1.80 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.59 4.36 0.00 2.88 2.82 0.00 0.00 6.25 6.71 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 21 L 8.36 3.89 0.00 1.78 1.86 0.86 0.78 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 22 S 7.67 4.10 0.00 4.09 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 23 S 8.23 4.25 0.00 4.03 4.12 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 24 I 8.00 3.67 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.05 0.84 0.00 0.00 25 T 7.59 3.75 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 1.35 0.00 0.00 26 R 7.42 4.47 0.00 1.93 1.95 0.00 3.55 0.00 0.00 3.13 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 27 S 7.06 3.96 0.00 3.95 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 28 S 8.51 4.64 0.00 4.02 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 29 V 7.84 3.75 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 0.84 0.00 0.00 0.96 0.00 0.00 30 L 7.42 4.69 0.00 1.70 1.59 0.93 0.90 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 31 D 8.38 4.72 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 32 Q 8.74 4.14 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.96 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 33 E 8.38 4.15 0.00 2.20 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 0.00 2.83 2.72 0.00 34 Q 9.22 4.31 0.00 2.50 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 35 L 8.78 3.86 0.00 1.89 1.56 0.72 0.51 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 36 W 8.51 4.08 0.00 3.62 3.25 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 0.00 37 G 8.37 2.41 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 0.00 38 T 7.66 3.85 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 1.24 0.00 0.00 39 L 7.62 3.80 0.00 1.41 1.48 -0.29 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.99 3.88 0.00 1.80 1.64 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.01 3.88 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 42 S 8.40 4.00 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.39 3.95 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 44 A 8.18 3.93 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 45 A 7.89 4.04 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 46 T 7.50 3.99 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 1.25 0.00 0.00 47 R 7.62 3.79 0.00 2.01 2.11 0.00 3.31 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 48 N 7.88 4.64 0.00 2.78 2.70 0.00 0.00 7.17 7.68 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 49 P 0.00 4.24 0.00 2.19 2.09 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 50 Q 8.03 3.98 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 51 V 7.69 3.60 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 1.12 0.00 0.00 0.93 0.00 0.00 52 L 7.97 3.93 0.00 1.95 1.81 0.92 0.98 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 53 A 8.20 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.17 4.81 0.00 2.73 3.10 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.14 4.86 0.00 1.51 1.55 0.85 1.03 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 64 S 8.40 4.47 0.00 4.07 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 65 A 8.52 3.84 1.25 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 0.00 0.00 0.00 66 A 8.03 3.93 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 67 A 8.01 4.20 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.38 3.81 0.00 2.02 2.06 0.00 3.12 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 69 H 8.65 4.29 0.00 3.34 3.39 0.00 5.63 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 70 A 8.37 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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 *81 N 7.98 4.97 0.00 3.07 3.33 0.00 0.00 7.06 6.92 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 82 N 8.15 4.39 0.00 2.76 2.88 0.00 0.00 6.75 7.68 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 83 V 7.69 3.70 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 1.04 0.00 0.00 1.00 0.00 0.00 84 F 8.05 3.95 0.00 3.02 2.76 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 85 Y 8.11 3.67 0.00 3.07 2.59 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 86 R 7.48 3.63 0.00 1.76 1.73 0.00 3.06 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 87 G 7.54 3.41 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 0.00 88 R 7.69 3.98 0.00 1.64 1.82 0.00 3.09 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 114 K 9.08 3.74 0.00 1.86 1.86 0.00 1.58 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.62 7.81 115 A 8.07 3.90 1.25 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 0.00 0.00 0.00 116 N 8.08 3.73 0.00 2.45 1.50 0.00 0.00 6.58 8.97 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 0.00 117 F 7.63 3.77 0.00 3.07 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 0.00 118 E 8.49 3.93 0.00 2.10 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 2.55 2.50 0.00 119 L 7.38 3.90 0.00 1.71 1.43 0.79 1.19 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 0.00 120 W 7.71 4.45 0.00 3.39 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 0.00 121 S 8.19 3.99 0.00 3.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.08 2.92 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 0.00 131 S 8.47 4.05 0.00 4.09 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 0.00 132 H 8.25 3.94 0.00 3.17 3.32 0.00 5.67 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 0.00 133 C 8.04 4.10 0.00 3.12 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 0.00 134 L 8.13 3.92 0.00 1.74 1.72 0.05 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.20 3.62 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 0.84 0.00 0.00 0.71 0.00 0.00 136 A 7.80 3.78 1.11 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 0.00 137 H 8.46 4.40 0.00 3.42 3.49 0.00 5.63 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 0.00 138 E 8.61 3.86 0.00 2.50 2.24 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 2.24 2.67 0.00 139 H 8.59 4.17 0.00 3.34 3.31 0.00 5.70 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 0.00 140 T 7.99 3.88 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 141 L 8.12 3.92 0.00 1.84 1.61 0.86 1.08 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 0.00 142 R 7.90 4.03 0.00 1.98 1.94 0.00 3.09 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 1.60 1.76 0.00 143 T 7.85 3.95 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 1.20 0.00 0.00 144 V 7.63 4.32 2.05 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 0.72 0.00 0.00 0.98 0.00 0.00 145 G 7.79 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 0.00 0.00 0.00 146 V 7.71 3.92 2.07 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 0.74 0.00 0.00 0.85 0.00 0.00 147 D 8.46 4.55 0.00 2.92 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 0.00 148 R 8.58 3.94 0.00 2.03 2.21 0.00 2.87 0.00 0.00 3.28 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 149 E 8.22 3.99 0.00 2.23 2.07 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 2.43 2.31 0.00 150 A 8.66 4.03 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 0.00 151 I 7.70 3.35 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.58 0.20 0.00 0.00 152 F 8.73 4.27 0.00 3.15 3.25 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 0.00 153 E 8.45 3.87 0.00 2.34 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 0.00 2.31 2.35 0.00 154 A 7.98 4.01 1.50 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 0.00 0.00 155 L 8.21 3.96 0.00 2.16 1.85 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.18 3.74 0.00 1.82 1.69 0.00 1.59 0.00 0.00 1.40 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 0.99 7.81 157 A 8.15 3.86 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 0.00 158 A 8.41 4.18 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 0.00 159 A 7.86 3.84 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 0.00 160 I 7.91 3.58 1.94 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 1.58 0.90 0.86 0.00 0.00 161 V 8.16 3.55 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 1.00 0.00 0.00 0.88 0.00 0.00 162 S 8.17 4.20 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.18 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.57 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 0.94 0.00 0.00 165 A 8.13 3.97 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 0.00 166 Q 8.27 3.84 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 167 A 8.30 4.09 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 0.00 168 L 8.32 3.96 0.00 1.92 1.68 0.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 169 A 8.32 4.05 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 0.00 170 T 7.95 3.83 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 1.34 0.00 0.00 171 I 7.31 3.81 1.88 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 1.50 0.71 0.92 0.00 0.00 172 E 8.00 4.09 0.00 2.01 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 0.00 2.35 2.52 0.00 173 A 7.91 4.24 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 0.00 174 L 7.72 4.77 0.00 1.81 1.69 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 175 S 8.01 4.28 0.00 3.82 3.70 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 * Residues marked with a * may have inaccurate shift predictions.