NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7687 8.4545 109.6939 44.6747 0.0000 174.2487 2 L 4.0069 6.8659 118.9228 51.8966 44.7736 180.5885 3 F 4.6842 8.5101 121.4016 58.2142 40.5791 177.7859 *4 D 4.4347 8.3144 122.3599 56.9753 39.6589 184.7352 5 K 4.2054 7.9506 119.9034 56.9371 31.9887 179.2431 6 L 4.4200 8.1357 120.5073 54.5111 42.4434 177.0199 7 K 4.2979 8.3840 122.0486 54.0534 32.3923 176.8522 8 S 4.8335 8.2503 118.0888 55.2719 65.2694 173.7935 9 L 4.0703 8.1463 121.3524 54.7432 41.8624 177.3402 10 V 4.3400 8.1789 124.3624 62.2728 34.8199 175.2315 11 S 3.9916 8.3800 117.5729 58.8592 62.1842 174.1690 *19 T 4.2334 8.6244 110.4939 63.1639 67.6957 171.2176 20 I 4.5277 8.3554 127.6536 59.6513 39.6366 174.3464 21 E 5.0766 8.7971 125.8322 54.6728 32.1366 175.2058 22 I 4.4001 9.6192 126.6265 59.8596 39.0793 175.0620 23 I 4.6544 8.2486 128.2286 59.7317 38.6760 175.7150 24 A 4.1063 9.3037 128.9846 52.6007 18.7577 176.3069 25 P 4.6985 0.0000 0.0000 63.0513 33.1847 174.9815 26 L 5.2256 7.6625 118.9589 55.2499 43.7947 174.1960 27 S 4.7277 9.5392 113.9790 56.6438 66.8499 173.0353 28 G 4.2848 7.3276 106.8370 45.2309 0.0000 172.0807 29 E 5.1179 8.4832 121.9396 54.4439 32.0554 175.9597 30 I 4.2550 8.4502 125.6590 61.5428 38.0715 175.7119 31 V 4.5324 8.9652 125.0107 60.8710 35.5177 174.3695 32 N 4.7253 8.6012 122.9539 52.8395 39.4306 175.8580 33 I 3.6447 8.6939 123.7223 64.1151 38.0804 177.3840 34 E 4.3021 8.2735 116.7291 59.0397 29.2135 177.7874 35 D 4.4198 9.7862 118.0012 55.1744 39.7822 176.9945 36 V 3.6584 7.8969 121.5146 62.1951 32.2498 174.7868 37 P 4.6121 0.0000 0.0000 61.3507 30.7626 177.2036 38 D 4.4059 7.6394 114.9664 53.2217 44.8919 174.4882 39 V 3.5953 8.5570 127.0301 66.4256 31.4697 178.1361 40 V 3.5995 8.4914 111.9048 63.3870 31.2546 178.3742 41 F 4.5502 7.6889 117.4050 60.2336 39.0643 177.7314 42 A 4.0701 8.2229 120.1724 54.7800 18.3132 178.0764 43 E 4.4750 8.5959 113.7364 55.2474 29.4167 176.2823 44 K 4.9536 7.6313 116.6570 56.6038 30.5137 177.8023 45 I 3.8315 7.2814 120.2000 64.5236 37.3271 178.6002 46 V 3.6908 7.8610 118.6514 63.3703 32.1235 176.5005 47 G 3.8812 5.9572 106.1956 45.6418 0.0000 170.4434 48 D 5.2613 8.9076 118.7155 51.7015 44.8001 177.3078 49 G 3.7861 7.8960 107.6337 45.9374 0.0000 170.5035 50 I 4.5350 7.6228 114.8762 59.2797 41.1592 174.2363 51 A 4.9132 8.4064 121.7393 50.5195 23.1688 175.4156 52 I 4.8360 7.8521 117.7264 59.5442 41.9576 174.5571 53 K 4.3251 8.9352 129.5696 54.9320 32.7727 174.3292 54 P 5.7879 0.0000 0.0000 62.8291 32.0550 176.0936 55 T 4.3356 8.9043 111.2043 61.8449 70.8445 174.9041 56 G 3.9164 8.9000 112.2174 46.0146 0.0000 172.6964 57 N 3.7850 7.8170 114.8279 53.8844 36.6762 172.7389 58 K 4.6945 6.8773 111.8118 56.1493 35.1409 174.8522 59 M 5.2505 9.3147 122.0759 54.0588 34.6215 175.4613 60 V 4.9835 9.5325 115.7494 58.9987 36.8627 174.7055 61 A 4.3025 8.2947 124.2038 52.5894 19.2556 176.2840 62 P 5.0275 0.0000 0.0000 62.6357 32.8225 174.7298 63 V 4.7456 7.3420 111.2423 60.6068 35.7421 173.0331 64 D 4.6489 8.8416 123.0688 53.8826 42.0894 177.1371 65 G 4.1883 7.8942 108.1969 45.9193 0.0000 170.4322 66 T 5.1815 7.7016 110.1164 59.5923 71.3357 173.9175 67 I 3.8513 9.3884 120.7865 62.2446 38.5007 174.6843 68 G 3.9809 9.8122 115.3691 46.9957 0.0000 174.4877 *69 K 4.6937 7.2983 121.6601 53.6007 35.0610 179.0424 70 I 5.0744 8.4249 121.8898 59.3025 39.9867 175.0008 71 F 4.1653 9.3124 126.1138 57.9438 39.3188 176.4908 72 E 3.5841 9.2146 123.8484 59.5862 29.7379 177.4025 73 T 4.2019 8.0092 111.0546 62.3588 67.5895 174.6212 74 N 4.1972 8.4997 114.8735 53.6694 35.7146 173.2073 75 H 4.1599 7.5661 118.6369 55.2212 31.4676 173.4130 76 A 4.7789 7.5441 119.3237 51.5108 22.4113 175.0215 77 F 5.5696 8.1844 113.9267 56.1171 42.1386 172.8103 78 S 5.3634 9.3009 113.8755 56.9332 66.8908 172.5697 79 I 4.7952 8.5359 119.3155 61.0279 41.9573 173.0634 80 E 5.3229 8.6394 126.9057 55.0087 31.9799 174.4703 81 S 4.9611 8.9515 119.4648 57.0090 64.3142 175.2208 82 D 4.4960 8.9716 121.1666 56.4606 40.6629 177.9968 83 S 4.5271 8.0493 112.5336 57.4834 64.0087 173.4676 84 G 3.6332 8.2424 107.9328 46.1071 0.0000 174.0277 85 V 4.6521 8.4750 120.5547 61.8713 36.0466 175.1234 86 E 5.1158 8.8633 125.0273 54.9821 32.0590 172.5876 87 L 5.2914 9.0830 124.9849 51.9155 45.6221 175.3426 88 F 5.2310 9.7528 124.4855 56.3922 42.9851 173.5525 89 V 4.1105 7.5786 125.5664 60.9968 33.9341 173.6371 90 H 4.1100 8.2887 127.0630 53.6706 32.4680 171.9800 91 F 3.7083 8.8293 130.0167 59.1538 39.7151 176.7451 92 G 4.0298 6.9792 115.9829 45.8820 0.0000 171.6046 93 I 4.3680 7.5036 110.9923 60.1200 38.9020 175.8710 94 D 4.7542 9.0604 123.6426 55.0230 38.5566 175.5436 95 T 4.2776 7.6229 111.0766 64.7375 68.2137 176.1402 96 V 3.5889 7.9587 121.7687 64.4241 31.1486 177.8657 97 E 4.0538 8.6000 118.3913 59.1922 29.3461 178.7457 98 L 4.0778 8.0084 119.6428 55.2243 41.9154 176.9203 99 K 3.5078 8.2305 116.9502 57.6180 29.3768 176.7080 100 G 4.2189 8.1206 104.3106 45.3108 0.0000 172.7433 101 E 4.2671 7.8695 120.2527 56.9294 29.6792 175.6959 102 G 3.5799 8.5524 113.8310 45.2285 0.0000 172.7132 103 F 5.3237 7.3444 116.8305 55.7342 41.8671 175.0134 104 K 4.4977 8.6563 123.6288 55.4708 35.7667 174.6693 105 R 4.2247 8.7535 128.9099 56.3442 30.0011 175.4213 106 I 4.1245 8.4193 128.0688 63.6940 37.2840 177.7563 107 A 4.3324 7.5652 123.1929 52.5980 19.6013 176.1798 108 E 4.7437 8.8799 112.4642 53.9270 33.4778 173.1973 109 E 4.0993 9.0272 120.3010 58.9870 29.7405 178.1190 110 G 4.3536 7.8166 103.0937 45.0694 0.0000 173.0946 111 Q 4.3300 8.5266 122.1342 56.9444 29.7683 176.5304 112 R 4.8351 8.4551 121.6387 56.5883 30.6771 175.8978 113 V 4.7233 10.2635 117.8088 59.6548 36.1615 175.8273 *114 K 4.6910 8.8967 126.3548 53.7626 34.1235 177.0621 115 V 3.5929 8.2590 119.6450 65.7197 31.3343 174.8111 116 G 4.2075 9.3072 115.8129 45.8187 0.0000 174.2399 117 D 4.4209 7.6795 118.1785 53.4922 39.7309 176.1795 118 T 4.0845 8.4462 118.7508 64.0313 69.5298 174.6443 119 V 3.9070 8.7503 125.9165 64.3136 33.5017 175.4537 120 I 5.1029 7.4613 118.3738 60.0436 42.0000 173.7491 121 E 5.1853 9.6935 123.5547 54.9394 33.3399 174.8718 122 F 5.0046 7.8587 115.6567 56.2842 41.7487 174.1414 123 D 4.6397 8.6574 120.3809 51.8833 40.2420 176.1261 124 L 4.1739 8.4093 125.8121 56.8160 42.0948 175.6267 125 P 4.6211 0.0000 0.0000 63.6984 32.3133 177.2503 126 L 3.8905 8.4657 119.8412 58.2895 41.9937 178.9226 127 L 4.0054 7.7943 118.8508 57.8883 41.2628 179.2358 128 E 4.0772 7.9979 118.0158 58.0551 29.6714 177.2330 129 E 4.5757 7.7650 116.0123 55.7452 30.8950 176.9992 130 K 4.2414 8.6199 117.4385 58.2845 33.7313 177.2800 131 A 4.2656 7.3777 124.0610 52.3769 19.0164 179.2428 132 K 3.9435 8.6514 122.0772 57.6227 31.8777 177.7866 133 S 4.6355 7.4603 109.0155 58.1395 65.4385 174.9854 134 T 4.2276 8.1623 119.0204 63.1622 70.0571 175.1414 135 L 3.7524 7.1391 121.3344 55.9176 42.9560 176.6976 136 T 4.9176 8.4296 118.8945 58.8710 69.5503 171.1448 137 P 4.3042 0.0000 0.0000 62.8372 32.5497 175.8881 138 V 4.6159 8.6426 121.2428 61.4182 34.2584 174.6143 139 V 4.6896 8.8105 120.8080 59.7031 36.4798 174.5706 140 I 4.9168 9.0826 124.7702 60.6137 38.1889 176.7604 141 S 4.5114 9.0469 122.9390 59.9605 64.2816 176.0374 142 N 4.7104 7.8973 118.9569 52.8091 36.8465 176.4330 143 M 3.8380 8.0629 121.1859 59.7144 32.7296 179.2114 144 D 4.3284 8.3261 118.8897 57.1151 39.4636 178.1868 145 E 4.1416 8.0979 114.3484 56.9491 29.8787 178.4530 146 I 4.5132 7.4662 113.2624 60.5628 39.6428 176.6563 *147 K 4.2289 9.4212 128.3347 57.7504 31.9241 176.3101 148 E 4.7073 8.0413 121.1230 53.9049 33.6242 173.8031 149 L 4.8492 8.5590 126.5257 53.5454 44.5011 175.0211 150 I 4.4042 9.1729 128.4966 59.5700 39.3319 175.1082 151 K 4.7217 8.5528 126.7884 54.8034 33.1435 176.4663 152 L 4.4329 8.5630 126.3166 54.1714 43.2156 175.5467 153 S 4.6042 7.9519 113.6000 57.4672 66.5989 174.7581 154 G 4.0372 8.4116 108.5140 46.5959 0.0000 173.2421 155 S 4.8631 8.4247 119.0023 58.7893 64.0622 174.2891 156 V 4.6149 8.5586 114.6431 60.1765 36.5875 173.8504 157 T 4.9573 10.7500 117.3467 59.7345 70.2833 173.7275 158 V 3.8535 9.3733 129.6809 63.5687 31.5621 176.0282 159 G 4.0202 9.4479 111.4304 46.3677 0.0000 173.5205 160 E 4.5041 7.7576 116.0007 57.3884 32.7777 175.9964 161 T 4.1863 7.6541 115.1189 63.3588 70.1771 171.4550 162 P 4.9898 0.0000 0.0000 62.3924 32.4934 175.8842 163 V 4.3245 9.1709 114.7033 62.3201 33.7860 175.7411 164 I 5.0366 7.5215 119.1738 60.0071 41.9210 173.8083 165 R 5.1443 9.3240 124.9197 54.5584 32.8199 175.2066 166 I 5.1018 9.8432 119.4474 59.6790 41.3902 174.9262 *167 K 4.5595 9.0079 131.7376 55.9512 33.1417 176.2146 168 K 4.2405 8.7443 125.7401 53.9093 31.4536 172.9501 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 G 8.45 3.77 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 0.00 0.00 0.00 2 L 6.87 4.01 0.00 1.69 1.37 0.92 0.48 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 3 F 8.51 4.68 0.00 3.12 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 *4 D 8.31 4.43 0.00 2.69 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 5 K 7.95 4.21 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 6 L 8.14 4.42 0.00 1.67 1.69 1.22 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.38 4.30 0.00 1.77 1.60 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 0.99 7.81 8 S 8.25 4.83 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.15 4.07 0.00 1.62 1.64 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.18 4.34 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 0.79 0.00 0.00 0.94 0.00 0.00 11 S 8.38 3.99 0.00 3.67 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 *19 T 8.62 4.23 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 1.22 0.00 0.00 20 I 8.36 4.53 1.88 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 1.24 0.79 0.92 0.00 0.00 21 E 8.80 5.08 0.00 1.81 1.85 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 2.19 2.30 0.00 22 I 9.62 4.40 1.99 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 1.24 0.77 0.91 0.00 0.00 23 I 8.25 4.65 2.06 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 1.18 0.39 0.92 0.00 0.00 24 A 9.30 4.11 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 25 P 0.00 4.70 0.00 2.23 2.43 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.77 0.00 26 L 7.66 5.23 0.00 1.88 1.78 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.54 4.73 0.00 3.81 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 28 G 7.33 4.28 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 0.00 29 E 8.48 5.12 0.00 1.87 1.84 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 2.30 2.25 0.00 30 I 8.45 4.26 1.85 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 1.09 0.72 0.93 0.00 0.00 31 V 8.97 4.53 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 0.94 0.00 0.00 0.94 0.00 0.00 32 N 8.60 4.73 0.00 3.15 2.72 0.00 0.00 6.53 7.32 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 33 I 8.69 3.64 2.12 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 1.76 0.99 1.00 0.00 0.00 34 E 8.27 4.30 0.00 2.11 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 0.00 2.28 2.26 0.00 35 D 9.79 4.42 0.00 2.80 2.84 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 36 V 7.90 3.66 2.13 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 0.81 0.00 0.00 0.77 0.00 0.00 37 P 0.00 4.61 0.00 2.24 2.11 0.00 3.85 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 38 D 7.64 4.41 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 39 V 8.56 3.60 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 1.01 0.00 0.00 0.93 0.00 0.00 40 V 8.49 3.60 1.81 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 0.60 0.00 0.00 0.28 0.00 0.00 41 F 7.69 4.55 0.00 3.34 3.01 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 42 A 8.22 4.07 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 43 E 8.60 4.47 0.00 2.10 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 2.26 2.37 0.00 44 K 7.63 4.95 0.00 1.96 2.02 0.00 1.90 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.60 7.81 45 I 7.28 3.83 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.31 0.85 0.00 0.00 46 V 7.86 3.69 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 0.61 0.00 0.00 0.65 0.00 0.00 47 G 5.96 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 48 D 8.91 5.26 0.00 2.70 2.48 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 49 G 7.90 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 0.00 0.00 0.00 50 I 7.62 4.54 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.93 0.88 0.00 0.00 51 A 8.41 4.91 1.07 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 0.00 0.00 52 I 7.85 4.84 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.82 0.94 0.00 0.00 53 K 8.94 4.33 0.00 1.76 1.67 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.49 7.81 54 P 0.00 5.79 0.00 2.38 2.16 0.00 3.35 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.63 0.00 55 T 8.90 4.34 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 56 G 8.90 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 57 N 7.82 3.78 0.00 2.77 2.86 0.00 0.00 6.12 6.78 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 58 K 6.88 4.69 0.00 1.77 1.56 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.44 7.81 59 M 9.31 5.25 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.72 0.00 60 V 9.53 4.98 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 0.80 0.00 0.00 1.02 0.00 0.00 61 A 8.29 4.30 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 62 P 0.00 5.03 0.00 2.14 2.52 0.00 3.92 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 63 V 7.34 4.75 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 0.65 0.00 0.00 0.99 0.00 0.00 64 D 8.84 4.65 0.00 2.62 2.72 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 0.00 0.00 0.00 0.00 65 G 7.89 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.70 5.18 4.28 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 1.36 0.00 0.00 67 I 9.39 3.85 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.80 0.94 0.00 0.00 68 G 9.81 3.98 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 0.00 0.00 0.00 *69 K 7.30 4.69 0.00 1.47 1.68 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.28 7.81 70 I 8.42 5.07 1.97 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 1.48 1.17 1.02 0.00 0.00 71 F 9.31 4.17 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 72 E 9.21 3.58 0.00 1.92 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 2.33 2.34 0.00 73 T 8.01 4.20 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 1.21 0.00 0.00 74 N 8.50 4.20 0.00 2.94 3.37 0.00 0.00 6.61 5.12 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 75 H 7.57 4.16 0.00 2.23 2.03 0.00 5.49 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 76 A 7.54 4.78 0.53 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 0.00 0.00 0.00 77 F 8.18 5.57 0.00 3.34 3.14 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 78 S 9.30 5.36 0.00 4.09 4.22 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 0.00 0.00 0.00 0.00 79 I 8.54 4.80 2.19 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.41 1.05 0.00 0.00 80 E 8.64 5.32 0.00 1.73 1.79 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 2.16 2.11 0.00 81 S 8.95 4.96 0.00 3.91 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 82 D 8.97 4.50 0.00 2.77 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 83 S 8.05 4.53 0.00 3.98 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 84 G 8.24 3.63 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 0.00 0.00 0.00 0.00 85 V 8.48 4.65 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 1.03 0.00 0.00 0.95 0.00 0.00 86 E 8.86 5.12 0.00 1.68 1.80 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 2.22 1.88 0.00 87 L 9.08 5.29 0.00 1.54 1.51 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 88 F 9.75 5.23 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.58 4.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.51 0.00 0.00 90 H 8.29 4.11 0.00 2.41 2.71 0.00 5.64 0.00 0.00 0.00 0.00 6.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.83 3.71 0.00 2.88 2.88 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 92 G 6.98 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 0.00 0.00 0.00 93 I 7.50 4.37 2.01 0.00 0.00 0.92 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4.08 4.22 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 0.00 0.00 0.00 1.24 0.00 0.00 119 V 8.75 3.91 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 0.13 0.00 0.00 0.54 0.00 0.00 120 I 7.46 5.10 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 1.19 0.00 0.00 121 E 9.69 5.19 0.00 1.83 1.73 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 2.24 2.16 0.00 122 F 7.86 5.00 0.00 2.41 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 0.00 123 D 8.66 4.64 0.00 2.58 2.42 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 0.00 124 L 8.41 4.17 0.00 2.10 1.76 1.21 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.62 0.00 2.10 2.06 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 126 L 8.47 3.89 0.00 1.75 1.80 0.91 0.52 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 135 L 7.14 3.75 0.00 1.45 1.44 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.43 4.92 4.07 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 0.96 0.00 0.00 137 P 0.00 4.30 0.00 1.39 1.43 0.00 3.43 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.44 0.00 138 V 8.64 4.62 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 0.87 0.00 0.00 0.79 0.00 0.00 139 V 8.81 4.69 2.27 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 0.86 0.00 0.00 1.25 0.00 0.00 140 I 9.08 4.92 1.98 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 1.30 1.49 0.93 0.00 0.00 141 S 9.05 4.51 0.00 3.86 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 0.00 142 N 7.90 4.71 0.00 2.93 3.07 0.00 0.00 6.18 7.66 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 0.00 143 M 8.06 3.84 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 144 D 8.33 4.33 0.00 2.76 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 0.00 145 E 8.10 4.14 0.00 2.04 1.91 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 2.26 2.12 0.00 146 I 7.47 4.51 1.88 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 1.16 1.10 1.01 0.00 0.00 *147 K 9.42 4.23 0.00 1.52 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.26 7.81 148 E 8.04 4.71 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 149 L 8.56 4.85 0.00 1.64 1.53 0.92 1.01 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 0.00 150 I 9.17 4.40 1.87 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 1.23 0.40 0.91 0.00 0.00 151 K 8.55 4.72 0.00 1.62 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.44 7.81 152 L 8.56 4.43 0.00 1.63 1.62 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.95 4.60 0.00 3.75 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.41 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 0.00 0.00 0.00 155 S 8.42 4.86 0.00 3.77 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 0.00 156 V 8.56 4.61 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.01 0.00 0.00 157 T 10.75 4.96 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 1.24 0.00 0.00 158 V 9.37 3.85 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 0.75 0.00 0.00 0.98 0.00 0.00 159 G 9.45 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 7.76 4.50 0.00 1.91 1.80 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 2.42 2.40 0.00 161 T 7.65 4.19 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 1.28 0.00 0.00 162 P 0.00 4.99 0.00 2.07 2.04 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 163 V 9.17 4.32 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 0.73 0.00 0.00 0.97 0.00 0.00 164 I 7.52 5.04 1.87 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 1.33 0.71 0.98 0.00 0.00 165 R 9.32 5.14 0.00 1.65 1.81 0.00 3.23 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 166 I 9.84 5.10 1.99 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 1.10 0.95 0.92 0.00 0.00 *167 K 9.01 4.56 0.00 1.46 1.73 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.26 7.81 168 K 8.74 4.24 0.00 1.92 1.86 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.22 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.