NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2708 8.1593 117.3739 63.5813 69.7639 173.4244 2 S 4.4716 8.3314 120.9914 55.4514 65.4283 172.6361 3 K 4.0073 9.4357 122.5956 59.7749 33.1715 179.7448 4 K 3.8534 8.3500 117.8286 59.7375 31.7214 178.7999 5 K 3.8394 7.5311 117.9600 59.2918 32.0230 177.7986 6 R 4.3573 7.5839 115.4939 56.5555 30.5733 177.9166 7 Q 4.1527 8.2713 120.2510 57.3818 28.4072 175.9098 8 R 3.8854 7.6134 118.6940 59.2146 30.0485 176.4783 9 G 4.0815 9.0411 111.4047 45.3456 0.0000 173.7457 10 S 4.2200 8.0599 113.2953 58.1292 63.3431 173.8054 11 R 4.0866 7.7283 123.9459 57.4893 29.4032 176.4492 12 T 4.2188 7.5839 105.1170 61.5272 69.9968 173.9725 13 H 4.8588 8.3240 118.4179 56.2303 26.7364 174.8090 14 G 3.9605 8.1044 100.3752 46.6867 0.0000 174.3908 15 G 3.9063 8.2026 107.1091 44.8407 0.0000 176.0388 16 G 4.0038 7.7649 106.6646 44.7536 0.0000 174.8335 17 S 4.2369 8.5409 118.6020 58.1867 62.7423 174.6103 18 H 4.3420 8.7779 121.6714 57.6048 28.4180 175.9883 19 K 4.0724 7.6748 118.9262 56.9213 31.6615 177.6084 20 N 4.3847 7.6987 117.4438 55.8022 39.3023 177.0906 21 R 4.3899 7.4677 118.9051 56.5485 28.7574 177.2146 22 R 4.6152 7.1255 122.6357 56.3450 30.3469 180.4682 23 G 4.0147 8.4840 119.5518 45.5628 0.0000 172.9751 24 A 4.3809 8.6327 121.6992 53.7215 18.6540 179.8688 25 G 3.5245 7.9845 104.6545 47.7917 0.0000 175.1190 26 H 4.4127 7.9038 117.9237 57.8600 29.9381 176.3403 27 R 4.5201 7.6615 117.1774 55.1580 30.7403 175.9361 28 G 3.8687 8.4300 106.7818 46.3801 0.0000 173.2510 29 G 4.2022 7.7429 105.0311 43.0082 0.0000 174.5770 30 R 4.1121 8.6730 121.6241 56.6042 31.8094 176.1062 31 G 3.7553 8.2576 113.1532 47.5397 0.0000 173.6903 32 D 4.6960 8.6523 124.4408 53.9617 40.6129 175.5542 33 A 3.9445 7.4211 122.3112 54.1175 18.8202 178.8789 34 G 3.7346 8.9753 109.2491 45.7113 0.0000 175.1933 35 R 3.9656 7.7029 116.2201 57.2967 29.2541 177.2710 36 D 5.0041 7.8554 115.8421 52.5684 42.0444 175.9239 37 K 4.2502 8.1960 116.9845 57.1827 33.2281 176.4569 38 H 4.5957 9.3444 124.1425 58.0401 28.5127 176.4854 39 E 4.6888 7.9040 120.9347 55.5825 30.0302 178.1748 40 F 5.0559 8.1027 115.6829 59.2885 38.3379 175.0603 41 H 3.7478 5.8034 116.6066 57.4045 28.7150 174.5443 42 N 4.2764 8.8893 120.0525 54.7832 35.9036 173.5868 43 H 4.9029 7.6831 112.6635 53.5274 31.6868 174.1138 44 E 4.1283 8.7547 123.6386 55.4205 29.9629 175.2144 45 P 4.4130 0.0000 0.0000 62.8582 31.7209 176.0579 46 L 4.1367 8.0370 119.0933 55.0000 42.2520 175.6057 47 G 4.0104 8.1495 105.8170 43.9897 0.0000 173.2408 48 K 4.6258 8.1101 118.5133 54.8520 34.4212 176.4854 49 S 4.3822 8.4661 114.6189 58.2500 65.3461 175.6313 50 G 4.0423 9.1765 118.0709 45.3583 0.0000 171.1376 51 F 4.9768 8.4302 113.3595 55.7302 40.9591 173.1649 52 K 4.2420 8.2261 118.5546 54.5096 35.4494 176.4447 53 R 4.5201 8.0140 121.0864 53.8450 31.6893 174.7138 54 P 4.2484 0.0000 0.0000 63.3724 31.6232 176.9202 55 Q 3.9190 9.0371 121.2937 59.1793 28.7339 178.6982 56 K 4.4979 7.9583 113.6691 56.9444 32.5727 177.0275 57 V 4.3107 8.0097 116.8971 62.9406 32.1419 174.9815 58 Q 4.5630 7.6434 117.4911 54.7699 30.1159 174.7200 59 E 4.4541 8.5672 120.9604 54.4340 31.7699 174.9276 60 E 4.4085 8.4425 124.6725 54.3503 31.2907 174.2199 61 A 4.0875 8.1941 129.3885 51.0177 20.0064 176.1691 62 A 4.4018 8.9452 125.9299 51.3078 19.7662 176.6086 63 T 5.5107 8.2098 112.1494 60.0562 71.9270 173.6892 64 I 4.4592 7.7897 120.3021 60.2783 41.6367 173.2187 65 D 5.2304 8.6367 128.4162 53.3693 42.3471 177.7099 66 V 3.6211 8.5617 116.7267 64.8733 31.4732 178.7720 67 R 3.8980 7.7554 118.3010 59.6110 29.5297 178.1001 68 E 3.8697 8.0894 117.6068 59.6369 30.0574 178.1977 69 I 3.7032 7.8339 119.1599 64.6975 36.7412 177.2756 70 D 4.3489 8.7117 118.5509 57.8776 40.9146 178.7496 71 E 4.1599 8.2945 116.9653 58.1467 29.2851 177.2110 72 N 5.0316 7.9815 116.6003 52.8788 40.1455 177.2459 73 V 3.2636 7.5467 113.3901 64.7240 31.7315 178.9982 74 T 3.8932 7.6096 107.9641 64.6878 68.5843 175.5444 75 L 4.0667 7.2258 120.7358 56.7764 41.8885 177.4810 76 L 4.4301 7.5225 120.9185 53.5638 40.9759 178.0303 77 A 4.0645 7.9166 121.9477 55.1575 18.9052 177.9556 78 A 4.5082 7.7651 117.7596 52.1650 19.0004 177.0646 79 D 4.6785 8.1623 119.0443 55.9560 45.3743 175.5578 80 D 4.2741 7.6973 122.0306 49.0595 42.2012 175.6122 81 V 4.3112 8.2740 121.2784 61.1279 34.1548 174.6095 82 A 4.2576 8.1432 133.7174 51.5888 20.3169 176.8050 83 E 3.8036 8.9908 109.4952 59.5944 30.0190 174.0685 *89 F 4.6090 7.7533 114.2723 57.8568 41.1212 174.1001 90 R 5.1420 8.5647 120.3726 54.7639 32.6562 174.7886 91 V 4.4896 8.8427 125.9245 59.9097 35.0166 174.6407 92 D 4.6039 8.7590 124.0723 52.9219 40.7522 176.3392 93 V 3.5778 8.5040 128.3304 66.1887 31.6180 178.3209 94 R 3.5597 7.6822 117.1266 59.4578 29.9318 177.1465 95 D 4.6098 8.1672 114.9701 54.9133 41.4445 177.1240 96 V 4.0152 8.5629 119.8763 64.3931 32.4220 176.5681 97 V 3.6513 7.5618 118.2844 62.8811 31.5570 175.4041 98 E 4.2184 8.5853 126.1569 56.9035 30.0416 176.6647 99 E 4.2314 8.7598 116.9185 57.4926 26.8278 175.5027 100 A 4.4530 7.5231 119.5315 52.7487 18.6048 178.2862 101 D 4.7237 7.8009 116.8029 56.9753 42.2248 178.4245 102 D 4.4110 8.0322 114.6861 53.3858 39.2743 175.2338 103 A 4.7316 7.6361 123.0427 50.7210 20.7959 178.3513 104 D 4.3370 8.7099 122.0752 55.6279 41.7981 175.8072 105 Y 4.8184 6.4022 118.9318 57.0641 41.3920 172.1179 106 V 4.7474 8.6994 121.8643 61.7195 33.6553 174.5654 107 K 4.6910 9.3025 128.6444 54.5917 35.5072 174.6619 108 V 4.5847 8.4853 127.7169 61.8326 32.9477 174.7470 109 L 4.5430 9.2982 128.3479 52.7555 44.3427 176.6619 110 G 4.2882 8.2572 109.1234 45.0751 0.0000 172.7029 111 A 4.6632 8.2703 121.3377 51.6521 21.9294 177.8154 112 G 3.7748 8.9361 108.7456 44.4185 0.0000 172.1720 113 Q 4.5048 8.1842 117.1321 54.1311 31.1237 175.4828 114 V 4.3344 7.9508 117.4579 61.8645 32.8336 174.5704 115 R 4.4590 8.7410 125.1885 56.1612 30.0951 175.7850 116 H 5.2150 7.7219 114.2179 53.8087 33.3506 172.6236 117 E 4.8063 8.8458 118.1486 55.1530 30.2711 175.6882 118 L 5.1190 8.6016 124.2198 53.0201 45.8164 175.7993 119 T 4.9035 9.0188 119.9851 62.1526 70.5804 172.9796 120 L 5.2275 8.7109 127.3047 52.9799 44.5642 175.8661 121 I 5.5135 8.7177 123.4513 59.0005 39.7365 174.6074 122 A 4.7976 8.6598 127.2775 50.5420 22.2291 176.3006 123 D 4.4050 8.5203 118.7066 57.2652 42.0970 176.2778 124 D 4.6517 7.1737 115.2617 53.2982 44.4234 174.2421 125 F 5.4936 9.0636 121.4451 54.6823 43.3842 174.2263 126 S 4.7390 8.5865 115.1101 57.1224 65.5412 174.7494 127 E 4.0517 9.1597 120.3036 59.9222 29.2091 179.7624 128 G 3.7876 8.2648 104.5224 47.9374 0.0000 175.0135 129 A 4.0763 7.8424 122.8249 55.2022 18.3736 179.6722 130 R 3.7744 8.1656 116.3449 59.2889 30.1605 178.7487 131 E 3.9345 8.5565 118.4563 59.7517 29.3321 179.9474 132 K 3.9151 8.0770 117.8196 59.6484 32.2923 179.6069 133 V 3.6214 7.9392 118.4011 66.0379 31.3155 177.9191 134 E 4.8528 8.0569 120.1567 58.6521 29.2215 179.2130 135 G 3.8491 8.5849 104.8020 46.7704 0.0000 173.6388 136 A 4.5933 7.7527 123.4330 51.7525 19.8352 176.8327 137 G 4.0447 8.3511 104.9128 48.6739 0.0000 173.0393 138 G 4.8321 7.6897 104.5511 43.0952 0.0000 171.9349 139 S 5.0606 9.0410 113.0494 56.5141 67.0932 173.3767 140 V 4.5308 8.0975 119.7358 61.2068 33.7568 174.1884 141 E 4.5907 9.4506 128.8509 54.6223 31.5720 174.8893 142 L 5.0027 8.4452 126.9689 54.3426 43.2442 176.3896 143 T 4.1360 8.5359 123.0690 63.6011 69.6035 175.1967 144 D 4.4443 8.7448 121.6479 57.4991 41.1000 179.0670 145 L 3.9325 7.9926 120.0760 57.8278 42.4595 178.1127 146 G 3.8058 7.8342 107.0195 47.1810 0.0000 174.4904 147 E 4.4294 7.9868 120.3351 57.0104 29.3187 176.9276 148 E 4.8025 8.4426 114.2053 56.3358 30.1156 178.5661 149 R 4.5481 7.5519 116.4068 52.0570 30.9353 176.1450 150 Q 4.3128 7.9383 121.4036 56.8408 29.3389 173.0939 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 T 8.16 4.27 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 1.21 0.00 0.00 2 S 8.33 4.47 0.00 4.05 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 3 K 9.44 4.01 0.00 1.80 1.85 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.47 7.81 4 K 8.35 3.85 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.53 7.81 5 K 7.53 3.84 0.00 1.68 2.05 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.54 7.81 6 R 7.58 4.36 0.00 1.95 1.92 0.00 3.21 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 7 Q 8.27 4.15 0.00 1.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 8 R 7.61 3.89 0.00 1.79 1.92 0.00 3.35 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 9 G 9.04 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 10 S 8.06 4.22 0.00 3.96 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 11 R 7.73 4.09 0.00 1.97 2.05 0.00 3.21 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 T 7.58 4.22 4.31 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 1.32 0.00 0.00 13 H 8.32 4.86 0.00 3.29 3.37 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.10 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 0.00 0.00 0.00 15 G 8.20 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.76 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 0.00 0.00 0.00 17 S 8.54 4.24 0.00 3.87 3.73 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 18 H 8.78 4.34 0.00 3.31 3.41 0.00 5.57 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 19 K 7.67 4.07 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.30 7.81 20 N 7.70 4.38 0.00 2.74 2.61 0.00 0.00 6.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.47 4.39 0.00 1.77 1.90 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.13 4.62 0.00 1.74 1.07 0.00 3.24 0.00 0.00 3.20 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 23 G 8.48 4.01 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 0.00 0.00 0.00 24 A 8.63 4.38 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.98 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 7.90 4.41 0.00 3.12 3.52 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.66 4.52 0.00 1.92 1.91 0.00 3.37 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 28 G 8.43 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 0.00 0.00 0.00 29 G 7.74 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 0.00 0.00 0.00 0.00 30 R 8.67 4.11 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.26 3.76 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 0.00 0.00 0.00 32 D 8.65 4.70 0.00 2.74 2.70 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 33 A 7.42 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.98 3.73 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 0.00 0.00 0.00 35 R 7.70 3.97 0.00 1.69 2.00 0.00 2.75 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 36 D 7.86 5.00 0.00 2.74 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 37 K 8.20 4.25 0.00 1.80 1.72 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.37 7.81 38 H 9.34 4.60 0.00 3.31 3.46 0.00 5.46 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.90 4.69 0.00 2.01 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 2.19 1.97 0.00 40 F 8.10 5.06 0.00 3.19 3.26 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 41 H 5.80 3.75 0.00 2.90 3.05 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.89 4.28 0.00 2.82 2.86 0.00 0.00 6.85 8.16 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 43 H 7.68 4.90 0.00 3.35 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.75 4.13 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.18 2.09 0.00 3.79 0.00 0.00 3.69 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 46 L 8.04 4.14 0.00 1.66 1.64 0.91 0.95 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 47 G 8.15 4.01 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 0.00 0.00 0.00 48 K 8.11 4.63 0.00 1.75 1.74 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.40 7.81 49 S 8.47 4.38 0.00 3.79 3.71 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 50 G 9.18 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 51 F 8.43 4.98 0.00 3.14 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 52 K 8.23 4.24 0.00 1.66 1.59 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.36 7.81 53 R 8.01 4.52 0.00 1.74 1.86 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.42 0.00 54 P 0.00 4.25 0.00 2.22 2.23 0.00 3.78 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 2.10 2.04 0.00 55 Q 9.04 3.92 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.14 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.96 4.50 0.00 1.86 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 8.01 4.31 2.19 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 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.64 4.56 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 59 E 8.57 4.45 0.00 1.90 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 2.46 2.26 0.00 60 E 8.44 4.41 0.00 1.94 1.71 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 2.17 2.20 0.00 61 A 8.19 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.95 4.40 1.20 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 0.00 0.00 0.00 63 T 8.21 5.51 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 1.20 0.00 0.00 64 I 7.79 4.46 1.85 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 1.34 1.21 0.88 0.00 0.00 65 D 8.64 5.23 0.00 2.74 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 66 V 8.56 3.62 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 0.84 0.00 0.00 0.99 0.00 0.00 67 R 7.76 3.90 0.00 1.88 2.03 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 68 E 8.09 3.87 0.00 2.00 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 2.31 2.34 0.00 69 I 7.83 3.70 2.02 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 1.52 0.75 0.91 0.00 0.00 70 D 8.71 4.35 0.00 2.81 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 71 E 8.29 4.16 0.00 1.96 1.99 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 2.34 2.60 0.00 72 N 7.98 5.03 0.00 2.67 2.71 0.00 0.00 6.83 6.99 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 73 V 7.55 3.26 0.77 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 0.53 0.00 0.00 0.31 0.00 0.00 74 T 7.61 3.89 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 1.18 0.00 0.00 75 L 7.23 4.07 0.00 1.59 1.77 0.99 0.96 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 76 L 7.52 4.43 0.00 1.88 1.78 0.90 0.78 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 77 A 7.92 4.06 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 78 A 7.77 4.51 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 79 D 8.16 4.68 0.00 2.80 2.60 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 80 D 7.70 4.27 0.00 2.98 2.61 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 81 V 8.27 4.31 1.96 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 0.34 0.00 0.00 0.91 0.00 0.00 82 A 8.14 4.26 1.13 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 0.00 0.00 83 E 8.99 3.80 0.00 1.99 1.93 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 2.24 1.95 0.00 *89 F 7.75 4.61 0.00 2.98 3.09 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 0.00 0.00 0.00 0.00 90 R 8.56 5.14 0.00 1.75 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.84 4.49 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 0.68 0.00 0.00 0.96 0.00 0.00 92 D 8.76 4.60 0.00 2.73 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 93 V 8.50 3.58 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 0.86 0.00 0.00 0.97 0.00 0.00 94 R 7.68 3.56 0.00 2.04 2.02 0.00 3.22 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 95 D 8.17 4.61 0.00 2.78 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 96 V 8.56 4.02 2.17 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 0.73 0.00 0.00 0.94 0.00 0.00 97 V 7.56 3.65 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 0.83 0.00 0.00 0.97 0.00 0.00 98 E 8.59 4.22 0.00 2.06 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 2.38 2.31 0.00 99 E 8.76 4.23 0.00 2.17 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 2.26 2.27 0.00 100 A 7.52 4.45 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 0.00 101 D 7.80 4.72 0.00 2.72 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 0.00 102 D 8.03 4.41 0.00 2.76 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 0.00 103 A 7.64 4.73 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 0.00 104 D 8.71 4.34 0.00 2.52 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 6.40 4.82 0.00 3.04 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 0.00 106 V 8.70 4.75 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 0.90 0.00 0.00 0.94 0.00 0.00 107 K 9.30 4.69 0.00 1.97 1.67 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.41 7.81 108 V 8.49 4.58 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 0.97 0.00 0.00 0.72 0.00 0.00 109 L 9.30 4.54 0.00 1.72 1.59 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.26 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 0.00 0.00 0.00 0.00 111 A 8.27 4.66 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 0.00 112 G 8.94 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 0.00 113 Q 8.18 4.50 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.95 4.33 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 0.99 0.00 0.00 0.95 0.00 0.00 115 R 8.74 4.46 0.00 1.63 1.79 0.00 3.11 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 116 H 7.72 5.21 0.00 2.98 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.85 4.81 0.00 2.04 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 2.33 2.31 0.00 118 L 8.60 5.12 0.00 1.63 1.62 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.02 4.90 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 1.23 0.00 0.00 120 L 8.71 5.23 0.00 1.83 1.86 1.07 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.72 5.51 1.94 0.00 0.00 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 1.18 1.03 0.97 0.00 0.00 122 A 8.66 4.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.40 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.17 4.65 0.00 2.43 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 0.00 0.00 0.00 0.00 125 F 9.06 5.49 0.00 2.85 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 0.00 126 S 8.59 4.74 0.00 3.93 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 0.00 127 E 9.16 4.05 0.00 2.05 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 0.00 2.42 2.42 0.00 128 G 8.26 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 0.00 129 A 7.84 4.08 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.17 3.77 0.00 2.03 1.92 0.00 3.16 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 131 E 8.56 3.93 0.00 1.98 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 2.34 2.52 0.00 132 K 8.08 3.92 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.65 7.81 133 V 7.94 3.62 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 1.09 0.00 0.00 1.05 0.00 0.00 134 E 8.06 4.85 0.00 2.02 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 2.27 2.34 0.00 135 G 8.58 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 0.00 136 A 7.75 4.59 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 0.00 137 G 8.35 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 0.00 138 G 7.69 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.04 5.06 0.00 3.78 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 0.00 140 V 8.10 4.53 1.64 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 -0.92 0.00 0.00 0.42 0.00 0.00 141 E 9.45 4.59 0.00 1.95 1.87 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 2.23 2.21 0.00 142 L 8.45 5.00 0.00 1.67 1.61 1.29 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.54 4.14 4.34 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 1.26 0.00 0.00 144 D 8.74 4.44 0.00 2.71 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 0.00 145 L 7.99 3.93 0.00 1.61 1.83 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.83 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 0.00 0.00 0.00 147 E 7.99 4.43 0.00 2.09 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 2.35 2.46 0.00 148 E 8.44 4.80 0.00 1.80 1.86 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 2.21 2.51 0.00 149 R 7.55 4.55 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 150 Q 7.94 4.31 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.