NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3738 8.2876 120.2275 56.3444 31.9732 177.6267 7 S 4.0563 7.9411 114.0693 59.9280 62.9663 174.7002 8 R 3.8240 8.1239 122.5386 59.4701 30.1952 179.2658 9 L 4.3740 8.1059 119.3607 57.5245 42.2001 178.1927 10 A 4.1246 7.8991 119.8925 55.0255 18.5774 179.2268 11 A 4.1668 8.1003 119.2252 55.2844 18.3214 180.6268 12 Q 3.7782 8.0204 113.7851 56.8993 28.7107 178.7468 *14 S 4.3891 8.0391 117.2815 58.4080 65.2726 175.7820 15 F 4.0365 8.3723 122.6894 61.0005 38.8704 177.1705 16 V 3.5082 7.8466 116.7886 66.0298 31.4537 177.9321 17 V 3.6494 7.6123 117.2777 65.9780 31.5584 177.3909 18 E 3.8400 8.1877 119.4477 59.1329 29.4104 178.4325 19 I 3.6124 7.5126 111.9152 62.4381 37.5818 177.0925 20 D 4.2325 7.7319 120.5628 57.6814 40.8748 178.2404 21 K 4.0472 8.0892 118.2463 58.5221 32.0189 178.7536 22 L 3.9275 7.9719 121.3801 57.8209 41.6980 178.8175 23 K 4.2791 7.8987 117.7524 58.6186 32.0093 178.2128 24 T 4.4752 7.6098 108.3229 61.1024 69.5352 174.6710 25 I 4.0737 7.2444 124.2204 60.2988 37.0814 174.7129 26 L 4.7163 8.2294 126.0767 53.6965 42.5817 177.4254 27 R 4.7812 8.4841 122.4808 54.5914 31.2261 176.8516 28 Q 4.0520 8.4474 117.6479 58.8172 29.1491 177.7342 29 T 3.8507 7.8341 114.7859 63.8680 68.9206 173.6485 30 L 4.7606 8.1343 125.3276 53.3262 43.2246 176.5005 31 L 4.2812 8.5604 121.1354 54.7576 42.0941 178.9015 32 T 3.9135 8.5176 110.7039 64.6615 68.6450 174.7441 33 D 4.5336 8.1283 119.1536 52.8298 39.6870 176.2595 34 S 3.7967 8.3197 114.5232 59.6449 61.1349 173.4687 35 S 4.2586 8.4335 117.4827 61.1404 63.2014 173.8921 36 R 4.5087 7.2507 114.9817 54.9880 32.2098 174.3211 37 R 4.5356 8.5190 119.0535 56.0269 30.3833 176.6209 38 E 4.4430 9.3840 125.3940 56.3014 31.0782 175.8444 39 N 5.0109 9.4145 123.6785 51.1508 40.0377 175.7613 40 D 4.3969 8.8055 118.6615 57.2451 40.6579 179.1533 41 A 4.0254 8.0480 121.1295 55.2418 18.6587 179.4530 42 E 4.0890 8.7817 116.2616 59.6509 29.6411 178.7962 43 H 4.4871 8.2984 120.8237 58.9129 29.9442 177.4842 44 S 4.2038 8.4135 117.0433 61.0806 62.6241 176.2033 45 W 4.2392 8.5129 131.3698 60.9003 30.1639 177.5506 46 H 3.0623 7.9561 116.4352 59.0579 29.4128 177.0356 47 I 3.6719 7.4601 120.1165 64.1552 37.2625 177.9349 48 A 4.1010 8.0151 121.6980 55.2001 18.2269 180.8025 49 T 3.8655 7.5432 113.2944 63.6694 68.2125 176.4312 *51 A 4.2496 7.9723 125.2674 52.3671 20.6781 179.2345 52 F 4.4738 7.7506 113.0436 60.7259 39.2248 177.9647 53 L 4.0552 8.1472 119.4203 57.3004 41.6744 178.1106 54 L 4.8383 7.8730 115.8521 54.4052 42.2542 177.8645 55 A 4.0789 7.9236 126.0829 55.2370 18.3336 180.6246 56 E 3.8479 7.8607 112.3793 58.9333 29.6497 177.2738 57 Y 4.4169 7.4386 115.3098 58.3184 38.4307 175.5960 58 A 3.7848 7.2841 123.2389 50.8534 19.4003 177.2438 59 D 4.4734 8.2069 119.6242 54.3967 41.5192 178.0073 60 E 3.8664 8.7062 121.0045 59.5127 29.5858 178.6599 61 A 4.0652 7.7737 119.8964 53.9790 18.7782 177.8041 62 V 3.7343 7.4153 116.5494 62.8334 32.0808 176.1309 63 Q 4.3946 9.2733 127.0445 54.4374 29.3338 176.8428 64 I 3.7086 8.1651 127.4233 64.2413 37.3547 178.5051 65 G 3.7489 8.1354 106.0977 47.9498 0.0000 175.5029 66 R 3.9213 7.8150 119.5758 59.0434 30.2898 178.1451 67 V 3.7246 7.8013 117.1775 65.9103 31.7176 177.4521 68 A 4.0800 8.0533 120.7192 55.0764 18.2108 180.5843 69 R 4.1703 7.8562 114.1710 57.2803 29.7174 178.1121 *71 L 4.1320 7.9060 119.0591 54.2269 43.5944 179.2328 72 L 4.1254 8.2991 118.0688 56.8682 41.8001 178.4968 73 I 4.4996 7.6932 110.7854 61.3047 38.0664 177.1841 74 H 4.4576 7.9982 117.0322 58.1882 28.4238 176.1505 75 D 4.7543 7.5023 118.8968 53.9176 41.2654 177.7187 76 I 3.5203 7.6540 122.7384 64.6762 37.0901 178.3941 77 V 3.3066 7.4436 112.3594 64.2926 30.7258 178.0385 78 E 4.1399 8.2840 118.0155 58.4229 28.9506 178.8603 79 I 3.6105 7.3720 120.0071 64.3964 37.2450 176.9553 80 D 4.5861 7.8298 116.4687 55.5708 41.7958 177.8790 81 A 4.3290 7.9592 119.3207 51.1068 19.2905 178.1838 82 G 3.8813 7.6507 105.0194 44.8808 0.0000 172.2682 83 D 5.0233 8.4392 117.0565 52.1050 42.4113 174.9963 84 T 4.7197 8.1559 115.1207 59.3976 71.5335 173.4505 85 F 4.5100 8.7311 127.0030 57.8409 40.1638 175.8751 86 I 3.5043 7.7508 127.7083 64.1586 37.8612 176.0766 87 H 4.6508 6.5408 114.2049 56.0693 30.6070 174.6058 88 D 4.4958 8.3529 124.8783 56.0109 38.8525 178.0094 *94 D 4.7282 9.2381 128.9881 53.8348 42.7861 179.3363 95 K 4.0887 8.2873 121.8726 60.2829 32.1252 179.1986 96 E 4.1142 8.2044 118.0386 61.1964 29.7044 180.3391 97 E 4.1888 8.1781 120.0881 59.1672 29.7405 178.9568 98 R 3.9656 8.2409 118.2140 59.3965 30.1528 178.9752 99 E 3.9222 8.7077 118.8194 59.1328 29.4625 179.2499 100 R 4.2290 8.6588 121.6454 60.1692 30.1774 179.4249 101 K 4.0349 8.2154 123.2170 59.5908 31.6965 180.6460 102 A 4.2048 8.2213 122.1460 54.9891 18.3292 179.5424 103 A 3.6738 8.2640 119.3230 55.2051 18.2740 179.6157 104 A 4.0432 8.0527 119.2477 55.3401 18.2310 179.9481 105 R 3.8587 7.7196 115.8760 59.5723 30.5290 178.5190 106 L 4.0604 8.1491 119.0925 57.9861 41.7743 179.6230 107 F 4.4526 7.9876 117.5687 60.2034 38.6213 177.7675 108 G 3.8061 7.7786 104.4081 47.0243 0.0000 175.2906 109 L 4.2187 7.7555 120.6621 56.5634 41.8330 177.5970 110 L 4.2377 7.0521 117.9069 53.1672 42.5441 175.5369 111 P 4.4103 0.0000 0.0000 62.2835 33.1998 175.8566 112 P 4.3405 0.0000 0.0000 65.7339 31.2307 178.7327 113 D 4.3459 8.0556 117.4244 56.8679 39.3145 178.6966 114 Q 4.1480 8.0806 119.1705 58.0419 28.7971 178.1162 115 A 4.0969 8.4866 122.2347 55.2576 18.4514 179.5991 116 A 3.9352 8.0248 119.2047 55.1054 18.4657 179.4423 117 E 3.7603 8.1266 117.8069 59.8476 29.7721 178.7746 118 Y 3.6743 8.3839 117.0933 60.6303 37.7951 178.0476 119 S 3.7000 7.7385 113.9996 61.1763 62.4403 176.1187 120 A 4.1144 8.0871 123.5602 54.9682 18.0877 179.3640 121 L 3.8441 7.9157 118.9813 57.8803 42.1429 179.0624 122 W 4.2798 8.3049 128.3593 60.6638 30.7562 177.8268 123 Q 3.2283 8.2290 118.1749 58.7782 27.9751 178.7073 124 E 3.8295 8.4114 120.5307 59.2869 29.4491 178.1088 125 Y 4.0453 7.8131 118.3971 60.9652 38.9637 177.8286 126 E 3.8399 7.8231 117.7590 59.1722 29.5399 178.9553 127 A 3.9480 7.8348 120.1745 52.4523 18.8828 177.3128 128 R 3.5672 7.1892 112.9774 57.5032 29.1198 176.9291 129 E 4.3466 8.1027 116.7547 59.4713 31.3522 178.0603 130 T 4.1661 7.4848 108.2461 60.8393 71.1173 174.9843 131 A 3.9742 8.4753 123.5127 55.6598 18.3013 179.8068 132 D 4.3198 8.0767 116.4384 57.5676 40.9245 178.7730 133 A 4.0500 8.0550 121.2541 55.2277 18.3095 179.9535 134 R 3.8599 8.2479 116.7894 59.2074 30.1021 179.1045 135 F 4.2821 8.3322 120.3227 61.0635 39.4167 176.8279 136 A 3.8959 8.2736 120.6590 55.5391 18.2190 179.1420 137 D 4.2649 8.4862 116.3599 57.2900 41.1690 178.2471 138 A 3.9474 8.0938 121.3564 55.1846 18.3880 179.6497 139 L 3.7184 7.5947 117.4581 57.8735 41.4097 179.2508 140 D 4.3293 7.8763 116.9826 57.4028 41.2296 178.1827 141 R 4.1509 7.9648 117.7299 58.5953 30.4694 178.4154 142 L 4.1274 8.0244 120.6555 58.0492 42.0630 178.5266 143 Q 3.9229 7.9877 119.5646 59.0029 28.8766 176.8671 144 P 4.3037 0.0000 0.0000 65.0215 31.2888 178.6896 145 L 4.1502 7.9882 118.3463 57.7286 41.6066 179.2308 146 L 4.0794 7.9821 118.4531 58.0887 41.6221 178.9145 147 H 4.0781 8.3759 118.0221 59.4796 29.8862 177.0513 148 N 3.8229 8.1011 118.5384 55.9261 38.1502 177.2466 149 F 3.9829 8.3230 122.2132 61.2779 39.3471 176.8080 150 E 4.0591 8.2264 118.0158 58.7771 29.4218 177.8581 151 T 4.1786 7.3569 107.0283 60.3299 69.5467 174.2036 152 E 2.0000 7.9593 118.4564 57.3362 27.3108 174.6343 153 G 4.0840 7.7047 101.8997 47.8314 0.0000 176.7581 154 G 3.5005 7.6553 108.6720 46.9561 0.0000 175.2611 155 T 4.3954 7.7467 116.6800 65.1114 69.5010 176.7256 156 W 4.6860 8.3864 120.9389 59.9390 29.1650 178.6284 157 K 4.0808 8.5425 118.5806 59.0705 31.4371 177.6585 158 P 4.4289 0.0000 0.0000 64.9455 31.3134 176.8544 159 H 4.8322 7.7134 113.5713 54.3458 29.2091 174.3689 160 G 4.0275 7.9732 108.4797 46.4031 0.0000 174.5942 161 V 3.8114 8.2282 119.2139 62.3878 32.4728 175.6180 162 T 4.7066 7.8771 115.7366 59.3488 72.7291 175.0967 163 R 3.6267 8.4837 121.4108 59.5193 30.0148 178.1937 164 A 3.9391 7.9670 119.8786 55.4867 18.0672 179.7095 165 K 3.9593 7.4329 115.1221 59.3703 32.3903 179.6677 166 V 3.7711 7.5099 118.1158 66.1410 31.6115 177.7747 167 D 4.4382 8.8726 121.6001 58.0333 40.3937 179.6576 168 K 4.0384 7.8319 123.0572 59.3511 31.9341 181.0243 169 L 4.5159 7.9546 117.2971 56.6563 41.8675 178.8611 170 L 4.0427 7.6572 119.0918 57.4198 41.5308 177.6286 171 P 4.6727 0.0000 0.0000 64.8528 30.7868 178.7840 172 R 3.9681 8.1232 117.2742 58.9555 29.8651 179.1071 173 I 3.6245 7.5653 119.3788 64.3858 37.1809 177.9316 174 E 4.1357 8.3320 119.2159 59.5312 29.0466 179.3594 175 A 4.1055 8.1029 119.9709 54.7324 18.4403 179.2811 176 G 3.9848 7.3806 102.9695 45.9048 0.0000 174.3731 177 S 4.5384 7.6776 112.3058 56.0989 66.2421 176.1513 178 K 3.9854 8.7414 128.0859 59.4801 31.8399 179.3272 179 R 3.8907 7.9228 118.5162 59.5249 30.1192 178.4767 180 L 4.0481 8.0485 118.9790 57.4438 41.4385 179.6568 181 G 3.6435 8.4547 105.9320 47.8487 0.0000 175.6014 182 A 3.9938 8.1817 123.4840 54.8268 18.3344 179.0388 183 Y 3.8112 8.1520 117.8214 60.7790 38.8333 178.2264 184 A 4.0625 8.4044 121.8577 55.2590 18.5268 179.7442 185 R 3.8254 8.3018 116.5838 59.4711 30.1846 179.2117 186 A 3.9361 7.9030 120.4910 54.8663 18.3104 179.4224 187 L 3.6031 7.8204 119.0150 58.2433 42.1199 179.4717 188 V 3.7369 8.0346 118.3187 66.0297 31.4368 177.7595 189 D 4.3024 8.1591 118.7177 57.3775 40.6045 178.4151 190 E 3.9270 8.3335 119.6315 59.0270 29.6115 178.4832 191 A 3.9745 8.7780 121.3915 55.3227 18.5170 179.8530 192 V 3.6978 7.8391 117.8932 65.6291 31.3971 178.1321 193 R 3.8861 7.7430 116.6736 59.5517 30.1135 178.5934 194 R 4.0487 7.7812 114.4444 56.0603 30.1587 177.4754 195 G 3.9381 7.6556 106.8821 46.2377 0.0000 174.5175 196 Y 4.5475 8.0548 120.0038 59.5927 37.9781 175.1682 197 L 4.8275 7.7478 121.3120 52.5827 45.2273 175.7333 198 A 4.2185 8.6838 128.2614 51.3354 19.8174 175.2919 199 P 4.3787 0.0000 0.0000 63.0504 31.1788 176.3084 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 6 E 8.29 4.37 0.00 2.15 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 2.30 1.88 0.00 7 S 7.94 4.06 0.00 4.13 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 8 R 8.12 3.82 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 9 L 8.11 4.37 0.00 1.67 1.69 0.99 1.14 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 10 A 7.90 4.12 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 11 A 8.10 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.02 3.78 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.33 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 *14 S 8.04 4.39 0.00 4.04 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 15 F 8.37 4.04 0.00 3.11 3.21 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 0.00 0.00 0.00 0.00 16 V 7.85 3.51 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 0.85 0.00 0.00 1.07 0.00 0.00 17 V 7.61 3.65 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 0.93 0.00 0.00 0.91 0.00 0.00 18 E 8.19 3.84 0.00 2.09 1.88 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 2.17 2.16 0.00 19 I 7.51 3.61 1.55 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.41 -0.13 0.00 0.00 20 D 7.73 4.23 0.00 2.72 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 21 K 8.09 4.05 0.00 1.81 1.77 0.00 1.76 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.46 7.81 22 L 7.97 3.93 0.00 1.64 1.65 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.28 0.00 1.85 1.83 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.46 7.81 24 T 7.61 4.48 4.21 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 0.00 0.00 0.00 1.17 0.00 0.00 25 I 7.24 4.07 1.85 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 1.40 0.80 0.94 0.00 0.00 26 L 8.23 4.72 0.00 1.62 1.58 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.48 4.78 0.00 1.87 1.89 0.00 3.19 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 28 Q 8.45 4.05 0.00 1.62 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.88 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 29 T 7.83 3.85 4.20 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 1.05 0.00 0.00 30 L 8.13 4.76 0.00 1.64 1.59 0.90 1.00 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 31 L 8.56 4.28 0.00 1.82 1.62 0.92 0.65 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 32 T 8.52 3.91 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 1.33 0.00 0.00 33 D 8.13 4.53 0.00 2.80 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 34 S 8.32 3.80 0.00 3.99 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 35 S 8.43 4.26 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.25 4.51 0.00 1.84 2.01 0.00 2.95 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 37 R 8.52 4.54 0.00 1.71 2.02 0.00 3.19 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 38 E 9.38 4.44 0.00 2.01 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 0.00 2.36 2.42 0.00 39 N 9.41 5.01 0.00 3.09 2.91 0.00 0.00 6.91 7.72 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 40 D 8.81 4.40 0.00 2.88 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 41 A 8.05 4.03 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 42 E 8.78 4.09 0.00 2.26 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 2.67 2.42 0.00 43 H 8.30 4.49 0.00 3.53 3.61 0.00 5.83 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 44 S 8.41 4.20 0.00 4.13 4.05 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 45 W 8.51 4.24 0.00 3.44 3.53 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 46 H 7.96 3.06 0.00 3.49 3.32 0.00 5.83 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 47 I 7.46 3.67 1.75 0.00 0.00 0.63 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 97 E 8.18 4.19 0.00 2.16 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 2.37 1.97 0.00 98 R 8.24 3.97 0.00 2.09 1.98 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 99 E 8.71 3.92 0.00 2.33 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 2.37 2.61 0.00 100 R 8.66 4.23 0.00 2.12 2.20 0.00 3.17 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 101 K 8.22 4.03 0.00 1.82 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.33 7.81 102 A 8.22 4.20 1.23 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 0.00 0.00 0.00 103 A 8.26 3.67 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 0.00 104 A 8.05 4.04 1.44 0.00 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 130 T 7.48 4.17 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 1.21 0.00 0.00 131 A 8.48 3.97 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 0.00 132 D 8.08 4.32 0.00 2.71 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 0.00 133 A 8.06 4.05 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 0.00 134 R 8.25 3.86 0.00 2.03 2.02 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 135 F 8.33 4.28 0.00 3.01 3.04 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 0.00 136 A 8.27 3.90 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 0.00 137 D 8.49 4.26 0.00 2.56 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 0.00 138 A 8.09 3.95 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 0.00 139 L 7.59 3.72 0.00 1.61 1.50 0.40 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.88 4.33 0.00 2.79 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 0.00 141 R 7.96 4.15 0.00 1.96 1.99 0.00 3.36 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 142 L 8.02 4.13 0.00 1.81 1.78 1.00 0.27 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 0.00 143 Q 7.99 3.92 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 144 P 0.00 4.30 0.00 2.28 2.12 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 145 L 7.99 4.15 0.00 1.99 1.96 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.98 4.08 0.00 1.86 1.78 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.38 4.08 0.00 3.25 3.39 0.00 5.79 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 0.00 148 N 8.10 3.82 0.00 1.55 1.42 0.00 0.00 6.74 8.23 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 0.00 149 F 8.32 3.98 0.00 3.35 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 0.00 150 E 8.23 4.06 0.00 2.12 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 0.00 2.33 2.32 0.00 151 T 7.36 4.18 4.05 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 0.99 0.00 0.00 152 E 7.96 2.00 0.00 1.79 1.59 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 2.04 1.47 0.00 153 G 7.70 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 0.00 0.00 0.00 154 G 7.66 3.50 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 0.00 155 T 7.75 4.40 4.29 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 1.27 0.00 0.00 156 W 8.39 4.69 0.00 3.51 3.13 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 0.00 157 K 8.54 4.08 0.00 1.95 1.91 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.56 1.81 7.81 158 P 0.00 4.43 0.00 2.03 2.12 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 159 H 7.71 4.83 0.00 3.44 3.57 0.00 6.00 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 0.00 160 G 7.97 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 0.00 161 V 8.23 3.81 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 0.48 0.00 0.00 1.25 0.00 0.00 162 T 7.88 4.71 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 1.18 0.00 0.00 163 R 8.48 3.63 0.00 1.75 1.89 0.00 3.03 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.55 0.00 164 A 7.97 3.94 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 0.00 165 K 7.43 3.96 0.00 1.98 1.87 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.31 7.81 166 V 7.51 3.77 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 1.06 0.00 0.00 0.58 0.00 0.00 167 D 8.87 4.44 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 0.00 168 K 7.83 4.04 0.00 1.89 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 169 L 7.95 4.52 0.00 1.86 1.75 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 170 L 7.66 4.04 0.00 1.84 1.74 0.97 0.91 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 0.00 171 P 0.00 4.67 0.00 2.14 2.09 0.00 3.99 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 172 R 8.12 3.97 0.00 2.03 2.12 0.00 3.08 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 173 I 7.57 3.62 2.00 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 1.81 0.57 0.93 0.00 0.00 174 E 8.33 4.14 0.00 2.17 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 2.35 2.45 0.00 175 A 8.10 4.11 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 0.00 176 G 7.38 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 0.00 177 S 7.68 4.54 0.00 4.18 3.80 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 0.00 178 K 8.74 3.99 0.00 1.96 1.87 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.53 1.07 7.81 179 R 7.92 3.89 0.00 1.99 1.94 0.00 3.24 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 180 L 8.05 4.05 0.00 1.75 1.65 0.94 0.46 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 0.00 181 G 8.45 3.64 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 0.00 0.00 0.00 182 A 8.18 3.99 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 0.00 183 Y 8.15 3.81 0.00 2.95 3.06 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 0.00 184 A 8.40 4.06 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 0.00 185 R 8.30 3.83 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 186 A 7.90 3.94 1.19 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 0.00 187 L 7.82 3.60 0.00 1.39 1.79 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 188 V 8.03 3.74 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 0.90 0.00 0.00 1.04 0.00 0.00 189 D 8.16 4.30 0.00 2.85 2.67 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 0.00 190 E 8.33 3.93 0.00 2.11 2.25 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 2.51 2.62 0.00 191 A 8.78 3.97 1.78 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 0.00 0.00 192 V 7.84 3.70 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 1.19 0.00 0.00 0.85 0.00 0.00 193 R 7.74 3.89 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 194 R 7.78 4.05 0.00 0.67 1.00 0.00 2.47 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 195 G 7.66 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 0.00 0.00 0.00 196 Y 8.05 4.55 0.00 3.29 3.19 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 0.00 197 L 7.75 4.83 0.00 1.15 1.23 0.16 0.42 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 0.00 198 A 8.68 4.22 1.24 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 0.00 0.00 199 P 0.00 4.38 0.00 2.05 2.01 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.