NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 3.8704 8.1227 123.5841 51.9195 20.8355 180.9353 10 R 3.1290 7.6614 109.6863 56.7168 31.8717 177.3008 11 F 4.3256 8.8448 113.1738 59.0372 38.9125 175.5305 12 R 4.0921 7.7467 120.0093 56.7937 30.3442 177.7412 13 K 4.0917 7.9067 117.9734 58.5789 32.2899 177.9431 14 V 3.9179 7.5728 118.3680 61.1561 32.4084 176.1362 15 D 4.6212 8.4115 123.9320 52.4188 39.9577 176.4598 16 V 4.0236 8.1068 124.7691 65.0935 32.2306 177.8541 17 D 4.4319 8.0407 119.3010 57.1502 40.7145 177.7255 18 E 3.9167 7.8512 118.5441 57.8771 29.5464 176.5429 19 Y 4.6836 7.3576 114.0085 57.9519 38.4881 174.9050 20 D 4.3440 8.0333 122.0159 54.2462 41.2969 175.1791 21 E 4.3236 8.7682 128.6116 55.6756 28.2518 175.6898 22 N 5.4282 8.0487 134.8771 53.6365 40.3389 176.6789 23 K 4.3576 7.2129 119.9053 55.7717 33.2025 174.9112 24 F 4.8427 8.6452 118.3545 56.4193 42.1734 175.0986 25 V 4.1140 7.1621 126.2549 60.5653 33.7871 174.9405 26 D 4.2624 8.2180 126.5023 54.0852 41.3597 175.9772 27 E 4.1701 8.5091 121.9545 56.0014 29.3333 175.9372 28 D 4.9857 8.0067 123.0046 52.7794 44.0710 174.4250 29 D 4.4633 7.9148 118.7044 53.9573 43.9289 174.4542 30 G 3.9664 8.3047 108.6315 43.6059 0.0000 172.6687 *35 A 4.1796 8.6707 126.4359 51.0882 20.4634 175.8531 36 G 4.1641 7.8713 100.0829 42.5240 0.0000 171.1370 37 P 4.4376 0.0000 0.0000 61.5664 32.2692 176.5499 38 D 4.5104 8.3646 118.8029 53.4964 41.6138 176.1005 39 E 3.9443 8.8047 128.3438 59.5121 29.8319 178.6546 40 G 3.6866 8.2023 105.1518 47.7862 0.0000 175.0032 41 E 3.9122 8.2255 120.9753 59.1390 29.8332 178.8445 42 V 3.5858 7.7115 118.2783 66.0967 31.5301 177.7167 43 D 4.3128 8.2113 118.6034 57.2526 40.6844 178.3464 44 S 4.0415 8.1052 113.6268 61.8634 62.2672 176.0249 45 C 4.0794 7.9571 118.8825 62.8417 27.8053 176.2598 46 L 3.9281 7.9175 120.3221 58.0034 41.0403 179.7425 47 R 3.9194 8.2099 116.9120 59.0877 30.0413 178.1575 48 Q 4.4040 7.8492 115.0273 55.1814 28.8953 176.5565 49 G 3.8375 7.9224 108.0456 46.6335 0.0000 175.4836 50 N 4.6487 7.9901 119.9152 51.9695 36.9870 175.6841 51 M 3.8993 7.8984 124.4639 58.4955 32.5409 177.8636 52 T 4.1169 8.0490 115.1392 66.8892 68.7560 176.2370 53 A 4.0389 8.0802 121.7593 55.0844 18.3435 179.3857 54 A 3.9499 7.9569 119.2359 55.0599 18.3868 179.4987 55 L 3.8841 8.3467 119.1550 58.6758 42.0051 179.4033 56 Q 4.0540 8.0602 116.1354 58.7142 28.8461 178.3060 57 A 4.1480 7.9827 121.3538 54.9076 18.3480 179.5177 58 A 3.9454 8.1227 118.5969 54.7334 18.4636 178.8633 59 L 4.2916 7.3631 114.8090 54.2428 42.2935 176.9741 60 K 4.1260 7.3509 120.8387 56.8776 33.4834 176.2499 61 N 4.1327 8.6661 120.1011 53.6530 35.8985 173.0307 62 P 4.4931 0.0000 0.0000 62.4397 32.8345 176.4293 63 P 4.5892 0.0000 0.0000 62.1056 29.3372 176.0491 64 I 3.9819 7.5691 118.4940 62.0463 38.7933 175.6578 65 N 4.9064 7.8725 114.8569 53.5714 40.3813 174.9827 66 T 4.1789 7.6757 107.9591 61.3788 69.7571 174.5459 67 K 4.1947 8.5004 122.4746 58.8028 33.1558 178.7723 68 S 4.3209 7.7908 114.4098 58.2860 64.6857 175.1326 69 Q 4.1439 8.7137 123.6557 57.8983 28.6850 178.5250 70 A 3.9838 7.9076 122.5533 55.1273 18.5771 179.8542 71 V 3.6292 7.6053 117.6632 64.7801 31.5135 178.8268 72 K 3.9854 7.6888 118.3153 59.4145 31.4867 179.1448 73 D 4.4927 8.7383 119.1314 56.6862 40.5759 178.9962 74 R 3.8753 7.7627 119.1476 59.3810 30.1528 178.1767 75 A 4.0833 8.0300 120.7043 55.1718 18.3289 179.8239 76 G 3.6524 8.2930 104.2320 47.8815 0.0000 176.2434 77 S 4.0644 7.6576 116.5090 61.4804 62.8987 176.5580 78 I 3.7770 7.5499 122.3935 64.4504 36.8966 178.5273 79 V 3.2280 7.6746 119.0790 65.8873 31.2229 177.7752 80 L 3.7425 8.0693 120.3497 57.7502 41.6532 178.5000 81 K 3.7646 8.4607 119.8215 59.6822 32.2104 178.4716 82 V 3.7564 7.6141 118.0424 66.1225 31.0235 177.8611 83 L 3.7686 7.6436 118.6522 57.9400 41.0796 179.7199 84 I 3.9188 7.6373 118.8565 64.2874 37.1547 178.1450 85 S 4.3415 7.7465 114.2016 59.3564 63.0627 174.7309 86 F 4.2674 7.4564 120.2634 56.8890 39.7514 175.0686 87 K 4.3507 8.4937 122.8996 55.3121 33.1748 177.4301 88 A 3.9574 8.9990 127.1732 55.6970 18.1746 179.3700 89 N 4.4371 8.1095 109.8973 55.3595 38.8898 175.5783 90 D 4.8409 8.1951 117.6309 54.3919 41.7114 178.4513 91 I 2.9591 7.4444 122.6062 63.8996 36.9550 177.5753 92 E 3.7461 7.8912 119.6702 59.2551 29.1675 178.6385 93 K 3.8916 7.9178 117.2378 59.3698 32.5877 178.0696 94 A 4.2064 7.5946 119.5557 55.3269 18.4353 179.6068 95 V 3.6189 7.7021 116.7008 66.4656 31.3365 177.9957 96 Q 4.2062 8.0538 115.9921 57.7963 28.6959 177.8204 97 S 4.3678 7.9646 114.3723 58.9923 63.6451 174.3180 98 L 4.4225 6.9634 122.3015 53.9193 42.7580 176.4897 99 D 4.7594 8.2021 121.0327 52.2315 42.2384 177.4560 100 K 3.8884 8.5277 118.6243 59.9326 31.9231 179.1176 101 N 4.4370 8.2604 116.1407 56.2928 38.5058 177.5366 102 G 3.6095 8.9287 107.4651 47.7347 0.0000 175.9073 103 V 3.6675 7.9871 120.8664 65.9222 31.0659 177.8487 104 D 4.3820 8.3064 118.6784 57.2483 40.6793 178.6386 105 L 3.9507 7.9187 120.9221 57.8593 42.0789 178.4612 106 L 4.0081 8.4475 120.7956 58.6350 41.9713 178.6461 107 M 4.0932 8.2514 117.8859 58.6715 32.1358 178.2754 108 K 4.0147 7.8295 118.3883 59.7755 32.1567 178.9766 109 Y 4.1333 7.7970 116.8478 60.8399 37.7553 178.2701 110 I 3.3653 8.1090 121.2250 64.6712 37.0098 178.0634 111 Y 4.1345 7.7167 115.9346 60.7413 37.9720 178.1265 112 K 4.1723 8.2595 120.8465 59.7884 32.2132 178.9691 113 G 3.5893 8.3169 106.0777 47.8195 0.0000 175.4420 114 F 4.5316 7.6506 118.7757 59.9392 38.9661 176.5876 115 E 4.4785 8.0894 116.3367 56.5758 30.9976 176.6936 116 S 4.7324 7.9500 114.5206 56.2680 63.2881 171.9024 117 P 4.5499 0.0000 0.0000 62.2111 32.6008 176.9517 118 S 4.4029 8.8786 112.3797 58.9395 66.6178 175.3414 119 D 4.6331 8.5892 127.8328 55.8735 38.6024 174.5697 120 N 5.0299 8.7034 124.8495 54.0428 39.1027 176.6708 121 S 4.1927 7.9301 117.5142 61.9006 62.9240 176.1212 122 S 4.3418 8.1724 117.9414 60.9199 62.2697 176.2336 123 A 4.0665 7.8318 123.8400 55.1937 18.1723 179.9995 124 V 3.9615 7.8167 117.0702 64.7339 31.8038 178.4144 125 L 4.1346 8.1036 119.5896 57.5924 41.3531 179.4377 126 L 4.2651 8.3855 119.1172 57.6097 41.4982 179.5079 127 Q 3.9818 7.6348 118.6635 58.7001 28.6726 178.6047 128 W 3.9199 8.3069 119.9815 59.8410 29.0893 177.8797 129 H 4.0469 8.6354 118.4053 59.2935 29.3178 176.5181 130 E 3.9418 8.2279 120.9254 59.5635 29.5612 179.1047 131 K 3.9179 8.0176 117.9389 59.3596 32.0221 179.2575 132 A 4.0457 8.5267 121.4952 55.0547 18.2148 179.4168 133 L 3.8663 8.4994 118.9834 58.2867 41.9559 179.0105 134 A 3.9516 7.9750 119.4203 54.9547 18.2984 179.1371 135 A 4.2591 7.7656 118.1481 54.4533 19.0246 179.1768 136 G 3.9444 8.2944 101.0570 43.1280 0.0000 174.6943 137 G 4.0230 8.3262 112.2526 44.4443 0.0000 175.1105 138 V 3.8307 8.1820 117.6659 64.4789 31.1241 178.3805 139 G 3.6803 8.2271 106.5799 47.8531 0.0000 175.5726 140 S 4.4349 7.7802 116.8011 60.7098 63.2623 176.4820 141 I 3.9165 7.6119 123.0910 64.1186 37.1900 177.8956 142 V 3.5334 7.9476 119.3007 66.4409 31.0391 178.0006 143 R 4.1294 7.7334 115.0606 57.9103 30.3898 178.7320 144 V 3.6743 7.7762 119.2075 65.8051 31.3131 177.8565 145 L 4.0068 7.7434 117.0841 57.4862 41.5810 178.0811 146 T 4.3671 7.2457 111.3659 62.8769 68.7495 174.5043 147 A 4.0938 7.3480 125.0596 52.4836 18.7296 178.5360 148 R 4.1907 8.5942 121.5482 56.9986 31.0532 176.7086 149 K 4.4181 7.8930 117.0100 54.8126 33.0679 174.9666 150 T 4.4315 8.0564 119.6255 60.7793 70.9601 174.4920 *151 V 3.8233 7.9991 119.1156 60.8970 32.2702 173.2239 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 9 A 8.12 3.87 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 10 R 7.66 3.13 0.00 2.05 2.19 0.00 3.23 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 11 F 8.84 4.33 0.00 3.16 3.15 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 12 R 7.75 4.09 0.00 1.40 1.78 0.00 2.81 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 13 K 7.91 4.09 0.00 1.82 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.39 7.81 14 V 7.57 3.92 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 0.81 0.00 0.00 1.07 0.00 0.00 15 D 8.41 4.62 0.00 2.77 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 16 V 8.11 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 1.03 0.00 0.00 1.03 0.00 0.00 17 D 8.04 4.43 0.00 2.89 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 18 E 7.85 3.92 0.00 1.68 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 19 Y 7.36 4.68 0.00 3.03 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 20 D 8.03 4.34 0.00 2.80 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 21 E 8.77 4.32 0.00 1.99 1.89 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 2.27 2.28 0.00 22 N 8.05 5.43 0.00 3.10 2.91 0.00 0.00 7.13 7.61 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 23 K 7.21 4.36 0.00 1.99 1.76 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.40 7.81 24 F 8.65 4.84 0.00 2.95 2.87 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 25 V 7.16 4.11 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 0.76 0.00 0.00 0.82 0.00 0.00 26 D 8.22 4.26 0.00 2.68 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 27 E 8.51 4.17 0.00 1.92 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 2.28 2.34 0.00 28 D 8.01 4.99 0.00 2.60 2.53 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 29 D 7.91 4.46 0.00 2.55 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.30 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 0.00 0.00 0.00 *35 A 8.67 4.18 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.87 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.44 0.00 2.02 2.19 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 38 D 8.36 4.51 0.00 2.70 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 39 E 8.80 3.94 0.00 2.02 1.92 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 2.35 2.31 0.00 40 G 8.20 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 0.00 0.00 0.00 41 E 8.23 3.91 0.00 2.04 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 2.37 2.36 0.00 42 V 7.71 3.59 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 0.94 0.00 0.00 0.95 0.00 0.00 43 D 8.21 4.31 0.00 2.91 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 44 S 8.11 4.04 0.00 3.88 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 0.00 45 C 7.96 4.08 0.00 3.03 3.16 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 0.00 0.00 0.00 0.00 46 L 7.92 3.93 0.00 1.93 1.69 0.90 0.86 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 47 R 8.21 3.92 0.00 1.92 1.99 0.00 3.14 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 48 Q 7.85 4.40 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.25 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 49 G 7.92 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 50 N 7.99 4.65 0.00 2.86 2.77 0.00 0.00 7.03 8.41 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 51 M 7.90 3.90 0.00 0.79 1.58 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.27 0.00 52 T 8.05 4.12 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 53 A 8.08 4.04 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 54 A 7.96 3.95 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 55 L 8.35 3.88 0.00 2.00 2.05 0.72 1.10 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 56 Q 8.06 4.05 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 57 A 7.98 4.15 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 58 A 8.12 3.95 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 59 L 7.36 4.29 0.00 1.75 1.76 0.94 1.34 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 60 K 7.35 4.13 0.00 1.79 1.76 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.42 7.81 61 N 8.67 4.13 0.00 2.84 2.86 0.00 0.00 6.99 8.02 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 62 P 0.00 4.49 0.00 2.21 2.21 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 63 P 0.00 4.59 0.00 2.09 2.08 0.00 3.75 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 2.07 2.10 0.00 64 I 7.57 3.98 1.86 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 1.43 0.71 0.91 0.00 0.00 65 N 7.87 4.91 0.00 2.72 2.81 0.00 0.00 6.98 7.54 0.00 0.00 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 7.68 4.18 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 67 K 8.50 4.19 0.00 1.76 1.90 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.36 7.81 68 S 7.79 4.32 0.00 4.05 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 69 Q 8.71 4.14 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 70 A 7.91 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.61 3.63 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 0.83 0.00 0.00 0.98 0.00 0.00 72 K 7.69 3.99 0.00 2.23 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 3.14 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.59 1.62 7.81 73 D 8.74 4.49 0.00 2.85 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 74 R 7.76 3.88 0.00 1.99 2.15 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 75 A 8.03 4.08 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 76 G 8.29 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.06 0.00 4.09 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 78 I 7.55 3.78 1.89 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 1.36 0.60 0.83 0.00 0.00 79 V 7.67 3.23 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 0.44 0.00 0.00 -0.26 0.00 0.00 80 L 8.07 3.74 0.00 1.76 1.73 0.80 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.46 3.76 0.00 1.82 1.99 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.45 7.81 82 V 7.61 3.76 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 1.10 0.00 0.00 0.92 0.00 0.00 83 L 7.64 3.77 0.00 1.51 0.94 0.24 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.64 3.92 2.12 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 1.53 0.37 0.95 0.00 0.00 85 S 7.75 4.34 0.00 3.92 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 86 F 7.46 4.27 0.00 3.62 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 87 K 8.49 4.35 0.00 1.89 1.74 0.00 1.39 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.46 7.81 88 A 9.00 3.96 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 89 N 8.11 4.44 0.00 2.72 2.88 0.00 0.00 6.83 8.06 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 90 D 8.20 4.84 0.00 3.08 2.89 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 91 I 7.44 2.96 1.46 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.67 -0.52 0.00 0.00 92 E 7.89 3.75 0.00 1.91 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 2.33 2.31 0.00 93 K 7.92 3.89 0.00 1.79 1.85 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.53 7.81 94 A 7.59 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.70 3.62 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 1.04 0.00 0.00 0.95 0.00 0.00 96 Q 8.05 4.21 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 97 S 7.96 4.37 0.00 4.06 4.16 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 0.00 0.00 0.00 0.00 98 L 6.96 4.42 0.00 1.82 1.67 0.99 1.20 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 99 D 8.20 4.76 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.53 3.89 0.00 1.79 1.93 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.50 7.81 101 N 8.26 4.44 0.00 2.89 2.88 0.00 0.00 7.00 7.60 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 0.00 102 G 8.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.99 3.67 2.26 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 1.06 0.00 0.00 1.00 0.00 0.00 104 D 8.31 4.38 0.00 2.91 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 0.00 105 L 7.92 3.95 0.00 1.88 1.86 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.45 4.01 0.00 1.86 1.96 0.62 1.10 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 0.00 107 M 8.25 4.09 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.81 0.00 108 K 7.83 4.01 0.00 1.79 1.63 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.61 7.81 109 Y 7.80 4.13 0.00 3.17 2.80 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 0.00 110 I 8.11 3.37 1.89 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 1.29 0.72 0.36 0.00 0.00 111 Y 7.72 4.13 0.00 3.01 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.26 4.17 0.00 2.04 1.96 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.64 7.81 113 G 8.32 3.59 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 0.00 0.00 0.00 114 F 7.65 4.53 0.00 3.31 3.02 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 0.00 115 E 8.09 4.48 0.00 2.08 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 0.00 2.42 2.77 0.00 116 S 7.95 4.73 0.00 3.80 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 0.00 117 P 0.00 4.55 0.00 2.08 2.04 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 118 S 8.88 4.40 0.00 3.98 3.95 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 0.00 0.00 0.00 119 D 8.59 4.63 0.00 2.88 1.89 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 0.00 120 N 8.70 5.03 0.00 2.76 2.82 0.00 0.00 6.58 7.23 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 0.00 121 S 7.93 4.19 0.00 4.01 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.17 4.34 0.00 3.98 4.10 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 0.00 123 A 7.83 4.07 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 0.00 124 V 7.82 3.96 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 1.06 0.00 0.00 1.12 0.00 0.00 125 L 8.10 4.13 0.00 2.01 1.42 0.61 0.34 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 0.00 126 L 8.39 4.27 0.00 1.93 1.79 0.94 0.70 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 0.00 127 Q 7.63 3.98 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 128 W 8.31 3.92 0.00 3.48 3.16 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 0.00 0.00 0.00 0.00 129 H 8.64 4.05 0.00 3.40 3.57 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.23 3.94 0.00 2.23 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 2.31 2.39 0.00 131 K 8.02 3.92 0.00 1.71 1.70 0.00 1.51 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.39 7.81 132 A 8.53 4.05 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 0.00 133 L 8.50 3.87 0.00 1.74 1.91 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.97 3.95 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 0.00 135 A 7.77 4.26 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 0.00 136 G 8.29 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 0.00 137 G 8.33 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 0.00 138 V 8.18 3.83 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 0.79 0.00 0.00 0.96 0.00 0.00 139 G 8.23 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 0.00 140 S 7.78 4.43 0.00 4.13 4.10 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 0.00 141 I 7.61 3.92 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.67 0.90 0.00 0.00 142 V 7.95 3.53 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 1.01 0.00 0.00 0.92 0.00 0.00 143 R 7.73 4.13 0.00 1.97 1.95 0.00 3.21 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 144 V 7.78 3.67 1.94 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 0.80 0.00 0.00 1.02 0.00 0.00 145 L 7.74 4.01 0.00 1.76 1.65 0.86 0.65 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 0.00 146 T 7.25 4.37 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 0.00 147 A 7.35 4.09 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 0.00 148 R 8.59 4.19 0.00 1.84 2.04 0.00 3.34 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 149 K 7.89 4.42 0.00 1.69 1.93 0.00 1.59 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.45 7.81 150 T 8.06 4.43 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 1.17 0.00 0.00 *151 V 8.00 3.82 1.72 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 -0.06 0.00 0.00 0.64 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.