NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2952 8.3027 120.2260 55.8581 31.4528 175.9065 3 I 3.4812 8.4239 122.4701 62.7688 37.4987 175.8286 4 Q 4.3071 8.7968 117.0641 57.0299 30.3168 177.0191 5 E 3.9745 8.9499 120.5340 59.7803 29.7563 178.6746 6 I 3.7085 7.7122 117.9647 63.8601 37.9496 177.7171 7 S 4.0331 7.6315 113.2917 61.3301 62.2820 176.1602 8 K 4.0277 7.7245 120.8935 59.0072 31.9007 178.5809 9 L 3.9382 7.7153 120.4800 57.9821 42.1488 178.7146 10 A 4.0362 8.1086 120.8143 54.8900 18.2913 179.8388 11 I 3.6332 7.7794 118.4801 64.5518 37.2930 177.9638 12 E 3.9048 8.2999 120.0021 59.4654 29.1425 178.6958 13 A 4.8270 7.5982 120.6272 54.8598 18.7928 179.4095 14 L 4.0905 7.7997 116.8155 57.7036 40.1439 179.3561 15 E 4.1340 8.2320 118.4019 58.8524 29.4715 178.7461 16 D 4.6915 8.1179 119.1772 56.0047 40.9185 176.9992 17 I 4.5744 7.0191 118.3779 62.9758 38.1640 176.3888 18 K 3.8136 8.0994 114.5895 57.5511 29.3070 175.1686 19 G 3.8106 8.0207 108.0614 45.0143 0.0000 171.8315 20 K 4.3548 8.6843 122.6688 56.0645 34.0242 176.3656 21 D 4.3835 8.5812 120.1658 55.4081 38.3745 174.5563 22 I 4.3068 7.4583 118.6329 61.2863 38.3092 177.3445 23 I 4.7565 8.5853 119.4031 59.0224 41.5240 173.7664 24 E 4.9172 8.7417 123.5327 54.5515 31.8833 174.6242 25 L 4.7088 8.5028 126.3102 53.1874 45.0209 175.4105 26 D 5.1197 8.6407 123.2966 53.2519 40.2186 175.8869 27 T 4.2594 8.9089 112.6915 61.6177 69.4576 177.4907 28 S 4.0046 7.7190 118.2636 61.8407 62.7454 175.9572 29 K 4.5224 7.9635 118.2053 55.4771 31.8667 177.2450 30 L 4.7607 8.2584 121.1377 55.5860 43.8253 176.2998 31 T 4.4928 7.4779 105.9427 61.1010 70.9457 173.0660 32 S 4.4971 8.2217 115.0134 58.5522 64.2935 175.3103 33 L 4.0269 7.6121 121.2859 57.4296 41.3511 177.0072 34 F 4.8802 6.4175 109.0655 55.9447 40.6331 173.6522 35 Q 4.2808 9.4705 121.2652 57.8542 30.2876 175.4473 36 R 5.3008 7.5330 116.9257 53.2763 34.3533 173.7187 *38 I 4.3919 8.0115 119.0902 61.1440 39.1778 175.3483 39 V 4.7703 8.6352 125.2170 61.2594 34.0855 174.0501 40 A 5.0926 9.2657 129.7813 50.4271 22.8005 174.4803 41 T 4.6138 9.1209 116.3432 61.6939 71.2484 174.2770 42 G 4.4133 8.3445 113.6131 43.6922 0.0000 173.5885 43 D 4.5681 9.2895 124.8161 56.0457 41.2789 176.9856 44 S 4.6442 7.6970 112.8005 56.0522 66.7335 174.8323 45 N 4.5022 8.7839 122.4945 56.0921 38.2669 177.6498 46 R 3.8783 7.9606 118.5160 59.5037 30.2458 178.7827 47 Q 3.9766 7.6283 117.8167 58.9586 28.9436 178.2300 48 V 3.5754 8.5240 119.8453 66.1386 31.5577 178.3064 49 K 3.8298 8.6155 118.2110 59.1277 31.7847 179.3450 50 A 4.0305 8.0024 121.3924 54.9787 18.3333 179.6779 51 L 3.9145 8.4071 117.7795 57.8457 41.6570 179.5660 52 A 4.0329 8.2658 120.9157 55.2566 18.2778 179.4972 53 N 4.2807 8.6033 115.3530 56.5135 38.6864 177.4307 54 S 4.0845 8.6364 114.8682 61.5841 62.5265 176.4368 55 V 3.6110 7.9196 120.7027 66.0108 31.2152 178.1506 56 Q 3.9389 7.8508 117.4278 59.0675 28.6750 178.7498 57 V 3.6393 8.1447 119.5574 65.7552 30.9568 178.3200 58 K 3.9881 8.1384 118.4263 59.4340 32.0161 179.3756 59 L 3.7733 7.8555 118.5590 57.1260 41.3686 179.7534 60 K 4.0061 8.0466 119.0087 59.3106 31.9973 178.8409 61 E 4.1159 7.9523 115.7949 57.8064 29.3994 177.8951 62 A 4.5797 7.2824 119.6155 50.6856 20.2889 176.2591 63 G 3.6834 8.2547 105.2960 47.2176 0.0000 176.4366 64 V 4.2743 7.7205 117.2686 59.6607 31.9642 173.8977 65 D 4.4635 8.3454 123.3763 54.1370 41.8797 176.1496 66 I 4.3986 8.0200 115.2407 58.7477 39.2867 176.7019 67 V 3.5551 8.1905 125.4040 64.7425 31.7233 175.2052 68 G 4.3025 6.3843 104.4059 43.2373 0.0000 172.1789 69 S 5.1312 7.6986 115.0399 55.7741 65.9156 172.8768 70 E 4.4643 8.4500 118.0139 56.3701 32.3888 175.5549 71 G 3.7796 8.8832 112.7307 46.3530 0.0000 174.5553 72 H 4.2578 8.1080 119.1457 57.6655 29.5855 175.9411 73 E 4.1883 7.6081 117.5761 59.1553 30.2286 178.1339 74 S 4.1408 7.9186 116.9364 58.4625 63.5504 174.6389 75 G 3.8530 7.8704 107.4725 46.8765 0.0000 175.1019 76 E 4.3120 7.9856 119.5534 56.9087 31.0575 176.7236 77 W 5.1491 7.8404 128.7558 56.3773 31.5556 172.5188 78 V 4.5245 9.1951 126.2842 60.9483 33.2644 174.0465 79 L 4.8504 8.6530 129.6647 53.4469 44.4888 175.5186 80 V 4.2230 8.7230 129.0352 61.4303 32.6303 174.3879 81 D 4.7455 8.8035 129.5646 53.0681 41.6538 176.7245 82 A 5.0016 8.4812 133.2075 51.4608 21.0728 179.6376 83 G 3.8446 8.6252 113.3308 47.8551 0.0000 174.8902 84 D 4.6875 9.1058 125.9335 54.9066 42.6255 175.9247 85 V 5.4977 7.8120 118.8799 59.8172 35.0310 174.5214 86 V 4.8119 8.0520 125.4398 59.9031 34.5330 174.4930 87 V 4.5130 8.5500 123.2518 61.4945 34.2072 173.8128 88 H 5.3623 9.6519 125.5732 54.1621 31.1255 173.3129 89 V 5.1796 8.6525 123.4491 60.1277 34.6868 174.6735 *91 L 4.6383 8.5202 124.4165 53.7709 43.1648 175.8222 92 P 3.9676 0.0000 0.0000 66.4552 30.9589 178.6576 93 A 3.1912 7.6392 120.2114 53.9697 18.3298 179.7375 94 V 3.5562 7.3683 116.3898 66.0883 31.7704 177.7524 95 R 3.6139 8.2579 118.7796 59.6881 29.6267 177.6814 96 D 4.2038 7.4967 116.0154 57.4298 41.1408 177.4611 97 Y 4.1413 7.3051 118.3947 61.1140 38.9102 177.4042 98 Y 3.7585 7.5932 115.8106 58.2961 38.1542 175.3690 99 D 4.2609 8.2743 118.8994 54.9658 39.9055 174.1685 100 I 3.7505 7.0337 113.5714 63.0265 38.5678 177.8580 101 E 4.0294 7.6770 120.9800 59.3016 29.1963 178.6747 102 A 4.7374 7.9899 121.8120 54.4228 18.1635 179.0841 103 L 3.6384 7.0003 117.3534 57.9160 42.1744 179.3224 104 W 4.8668 7.9255 115.9450 56.6280 31.8590 176.4899 105 G 4.0213 8.1947 103.8891 46.3007 0.0000 174.2802 106 G 4.2493 8.2282 106.6178 43.8307 0.0000 170.1899 107 Q 4.7715 8.4396 119.8629 53.6955 30.3072 175.7297 108 K 4.4506 8.4274 121.8418 55.5297 33.5610 175.0819 109 P 4.3404 0.0000 0.0000 62.4217 31.8262 175.9743 110 S 4.1818 8.5691 114.5568 59.0595 63.5757 171.2830 111 F 4.6184 8.9722 125.6309 56.3315 40.9781 175.6915 112 A 3.4800 8.8075 118.8759 52.9038 16.1012 177.8368 113 V 3.9832 6.0739 116.2754 61.0844 34.9118 173.4677 114 G 3.4464 6.4102 103.9633 43.9317 0.0000 174.3441 115 A 4.5250 7.9001 128.9612 50.6391 19.4302 176.9938 116 A 4.1379 8.1268 125.1128 54.9669 19.6930 178.7895 117 K 4.6486 7.5033 114.5346 54.3877 32.4493 175.2656 118 P 4.0763 0.0000 0.0000 64.6667 31.9723 178.3552 119 W 4.7179 7.7321 116.8130 57.3642 29.7027 176.0439 120 S 4.4326 7.6366 118.0929 58.2256 61.8057 173.3056 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 2 E 8.30 4.30 0.00 2.01 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 2.30 2.25 0.00 3 I 8.42 3.48 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 1.47 1.21 0.91 0.00 0.00 4 Q 8.80 4.31 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.22 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 5 E 8.95 3.97 0.00 2.19 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 2.32 2.50 0.00 6 I 7.71 3.71 1.86 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 1.51 1.34 1.00 0.00 0.00 7 S 7.63 4.03 0.00 4.02 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 8 K 7.72 4.03 0.00 1.90 1.92 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 9 L 7.72 3.94 0.00 1.90 1.79 0.91 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.11 4.04 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 11 I 7.78 3.63 1.99 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 1.39 1.11 0.91 0.00 0.00 12 E 8.30 3.90 0.00 2.13 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 0.00 2.31 2.34 0.00 13 A 7.60 4.83 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 14 L 7.80 4.09 0.00 1.92 1.73 0.92 0.73 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 15 E 8.23 4.13 0.00 2.21 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 2.32 2.58 0.00 16 D 8.12 4.69 0.00 2.82 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 17 I 7.02 4.57 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 1.30 0.87 0.92 0.00 0.00 18 K 8.10 3.81 0.00 1.82 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.36 7.81 19 G 8.02 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 20 K 8.68 4.35 0.00 2.00 1.73 0.00 2.14 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.40 7.81 21 D 8.58 4.38 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.46 4.31 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 1.39 0.46 0.90 0.00 0.00 23 I 8.59 4.76 1.87 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 1.29 0.89 0.98 0.00 0.00 24 E 8.74 4.92 0.00 1.94 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 2.15 2.27 0.00 25 L 8.50 4.71 0.00 1.61 1.58 1.07 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.64 5.12 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 27 T 8.91 4.26 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 0.52 0.00 0.00 28 S 7.72 4.00 0.00 3.94 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.96 4.52 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.46 7.81 30 L 8.26 4.76 0.00 2.03 2.18 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.48 4.49 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 32 S 8.22 4.50 0.00 3.94 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 33 L 7.61 4.03 0.00 0.42 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 F 6.42 4.88 0.00 3.14 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 35 Q 9.47 4.28 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 36 R 7.53 5.30 0.00 1.88 1.73 0.00 3.27 0.00 0.00 3.38 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 *38 I 8.01 4.39 1.83 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 1.20 0.71 0.95 0.00 0.00 39 V 8.64 4.77 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 0.88 0.00 0.00 0.88 0.00 0.00 40 A 9.27 5.09 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 41 T 9.12 4.61 4.33 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 1.20 0.00 0.00 42 G 8.34 4.41 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 43 D 9.29 4.57 0.00 2.68 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 44 S 7.70 4.64 0.00 4.01 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 45 N 8.78 4.50 0.00 2.84 3.05 0.00 0.00 7.62 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 46 R 7.96 3.88 0.00 1.86 1.99 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 47 Q 7.63 3.98 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 48 V 8.52 3.58 2.30 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 1.08 0.00 0.00 0.95 0.00 0.00 49 K 8.62 3.83 0.00 1.83 1.78 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.41 7.81 50 A 8.00 4.03 1.41 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 51 L 8.41 3.91 0.00 1.85 1.74 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.27 4.03 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 53 N 8.60 4.28 0.00 2.94 2.89 0.00 0.00 6.68 7.17 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 54 S 8.64 4.08 0.00 3.92 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 55 V 7.92 3.61 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 0.96 0.00 0.00 0.99 0.00 0.00 56 Q 7.85 3.94 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 57 V 8.14 3.64 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 1.03 0.00 0.00 0.97 0.00 0.00 58 K 8.14 3.99 0.00 2.07 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.62 7.81 59 L 7.86 3.77 0.00 1.72 1.70 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.05 4.01 0.00 1.81 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.63 7.81 61 E 7.95 4.12 0.00 1.93 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 2.34 2.63 0.00 62 A 7.28 4.58 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 63 G 8.25 3.68 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 0.00 0.00 0.00 64 V 7.72 4.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 65 D 8.35 4.46 0.00 2.70 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 66 I 8.02 4.40 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 1.28 0.91 0.89 0.00 0.00 67 V 8.19 3.56 2.31 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 0.82 0.00 0.00 0.97 0.00 0.00 68 G 6.38 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 0.00 0.00 0.00 0.00 69 S 7.70 5.13 0.00 3.95 3.83 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 70 E 8.45 4.46 0.00 1.97 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 0.00 2.07 2.15 0.00 71 G 8.88 3.78 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 0.00 72 H 8.11 4.26 0.00 3.10 3.35 0.00 5.93 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 7.61 4.19 0.00 2.13 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 2.27 2.24 0.00 74 S 7.92 4.14 0.00 4.04 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 0.00 75 G 7.87 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 76 E 7.99 4.31 0.00 2.12 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 0.00 2.31 2.27 0.00 77 W 7.84 5.15 0.00 3.24 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 78 V 9.20 4.52 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 1.00 0.00 0.00 0.97 0.00 0.00 79 L 8.65 4.85 0.00 1.73 1.36 0.68 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.72 4.22 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 0.83 0.00 0.00 0.93 0.00 0.00 81 D 8.80 4.75 0.00 2.79 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 82 A 8.48 5.00 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 83 G 8.63 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 9.11 4.69 0.00 2.81 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 85 V 7.81 5.50 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 0.84 0.00 0.00 0.92 0.00 0.00 86 V 8.05 4.81 1.76 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 -0.20 0.00 0.00 0.76 0.00 0.00 87 V 8.55 4.51 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 1.01 0.00 0.00 0.89 0.00 0.00 88 H 9.65 5.36 0.00 3.21 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.65 5.18 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 1.45 0.00 0.00 0.95 0.00 0.00 *91 L 8.52 4.64 0.00 1.78 1.59 0.96 1.24 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 92 P 0.00 3.97 0.00 2.18 2.33 0.00 3.68 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 2.09 2.12 0.00 93 A 7.64 3.19 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 94 V 7.37 3.56 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 1.24 0.00 0.00 1.03 0.00 0.00 95 R 8.26 3.61 0.00 1.70 1.87 0.00 3.06 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 96 D 7.50 4.20 0.00 2.48 2.29 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 97 Y 7.31 4.14 0.00 2.77 2.69 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 98 Y 7.59 3.76 0.00 2.68 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 99 D 8.27 4.26 0.00 2.86 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.03 3.75 1.96 0.00 0.00 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 1.45 0.65 0.72 0.00 0.00 101 E 7.68 4.03 0.00 2.13 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 2.32 2.28 0.00 102 A 7.99 4.74 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 0.00 103 L 7.00 3.64 0.00 1.54 0.96 0.61 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 104 W 7.93 4.87 0.00 3.36 3.24 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 0.00 105 G 8.19 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 0.00 106 G 8.23 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 0.00 0.00 0.00 0.00 107 Q 8.44 4.77 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 108 K 8.43 4.45 0.00 1.82 1.92 0.00 1.47 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 109 P 0.00 4.34 0.00 2.32 2.10 0.00 3.86 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 1.96 1.93 0.00 110 S 8.57 4.18 0.00 3.87 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 0.00 111 F 8.97 4.62 0.00 2.86 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 0.00 112 A 8.81 3.48 1.21 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 0.00 0.00 113 V 6.07 3.98 1.48 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 0.77 0.00 0.00 0.72 0.00 0.00 114 G 6.41 3.45 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 0.00 115 A 7.90 4.53 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 0.00 116 A 8.13 4.14 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 0.00 117 K 7.50 4.65 0.00 1.73 1.71 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.34 7.81 118 P 0.00 4.08 0.00 0.49 1.41 0.00 3.52 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.52 0.00 119 W 7.73 4.72 0.00 3.43 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 0.00 120 S 7.64 4.43 0.00 3.82 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 * Residues marked with a * may have inaccurate shift predictions.