NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1447 8.0249 121.4537 61.1318 38.5210 174.5155 3 Q 4.4205 8.0544 124.7163 53.8114 30.6882 173.4578 4 M 4.5691 8.4801 123.6450 54.5380 33.7907 175.3674 5 T 4.5720 8.7916 113.8465 59.8545 71.5308 172.7376 6 Q 4.6971 8.3776 127.4274 55.5531 31.3500 173.4864 7 S 3.5807 8.9392 118.0388 55.0026 68.7281 171.5396 8 P 4.0237 0.0000 0.0000 59.4193 28.7670 175.6238 9 S 4.4399 8.9609 119.8169 60.6922 63.4323 173.9816 10 S 5.0449 7.9213 112.2481 56.4870 65.6969 172.9706 11 L 4.6726 8.2964 123.9879 52.9985 43.7506 175.2786 12 S 4.9202 8.8455 118.4437 56.8060 64.5837 172.1170 13 A 4.9941 8.3523 128.7526 50.2415 22.3739 174.4339 14 S 4.7999 8.2437 111.3751 56.2300 66.0469 174.2464 15 V 3.6991 8.2707 122.4877 65.5425 31.2116 175.9765 16 G 4.0521 8.3008 114.4570 45.2666 0.0000 172.6184 17 D 4.7098 7.7793 119.6459 52.8461 43.5729 175.5556 18 R 4.4673 8.2622 120.2563 54.8382 30.6824 175.6146 19 V 4.1362 8.8354 128.5557 61.6950 33.1891 174.6119 20 T 4.5512 8.4119 125.4405 62.0780 70.0452 174.2338 21 I 4.3521 8.4890 129.0071 59.8960 37.9325 176.2364 22 T 4.9211 8.7718 124.8246 63.2744 70.7348 173.2205 23 C 5.1429 9.7016 121.6508 58.4677 35.5529 172.8091 24 R 5.2497 10.2131 122.6963 54.4634 33.2428 174.6693 25 A 5.0843 8.4246 121.3843 50.4523 22.6105 176.6082 26 S 4.4112 8.7587 115.8063 57.4070 62.7601 171.7560 27 Q 3.3330 8.3040 129.3699 54.7634 28.3197 173.7217 28 S 4.2222 8.2061 113.2629 58.6903 62.7819 174.1674 29 I 4.6353 9.6362 122.8420 60.4795 38.6219 176.7978 30 S 3.5723 7.7584 118.3290 60.7327 62.8113 173.0626 31 S 5.1382 7.8673 110.3295 58.5313 62.7954 174.0057 32 Y 5.0102 7.2613 115.7988 57.7516 38.3684 175.8317 33 L 4.1887 7.2535 121.6276 54.7896 43.7625 175.0186 34 N 5.4699 8.2013 119.7971 51.3461 43.9139 173.2846 35 W 5.3734 8.2800 118.5169 54.4420 32.4445 174.5315 36 Y 5.0942 9.1395 122.1947 56.3856 40.8779 174.5190 37 Q 4.7275 8.7518 121.6286 54.7251 32.9270 174.8294 38 Q 4.3757 8.2145 125.2135 54.7793 30.5127 174.2106 39 K 3.8881 8.5714 126.2648 55.9125 33.4938 174.9076 40 P 4.4335 0.0000 0.0000 63.4795 31.9848 177.2955 41 G 3.9841 9.2455 109.9447 45.1490 0.0000 172.8422 42 K 4.5323 7.0234 116.9808 54.2308 35.8388 175.4347 43 A 4.0382 8.3445 122.0474 51.8905 18.6380 175.2178 44 P 4.7356 0.0000 0.0000 62.8769 32.4124 177.3886 45 K 4.3785 8.6914 127.2392 54.5605 33.4911 174.1276 46 L 4.0190 8.2467 125.1552 54.3456 42.4219 175.5141 47 L 4.3538 8.6893 125.9539 56.1433 43.7363 176.4709 48 I 4.7625 7.4597 118.2921 59.6486 40.9809 173.9855 49 Y 5.2244 8.3028 121.2990 55.4404 42.2666 174.9968 50 A 4.5273 9.9405 119.0743 52.4747 15.9980 178.9119 51 A 3.9732 8.0535 125.6842 54.6408 18.8235 180.2552 52 S 4.6137 8.4172 106.1349 58.1048 65.0224 174.5885 53 S 4.3378 8.0513 116.7097 57.8276 63.1620 173.4149 54 L 4.3391 8.6349 128.7141 55.3948 42.7317 175.7220 55 Q 4.7808 7.9897 122.4102 53.6731 31.9731 175.8140 56 S 4.1168 8.6681 117.9842 59.9039 63.4862 176.3037 57 G 3.9848 8.6085 109.9652 46.0434 0.0000 174.0821 58 V 3.9328 7.3843 119.8577 60.2914 31.9056 173.8302 59 P 4.3685 0.0000 0.0000 63.4849 31.0560 176.7035 60 S 4.6292 8.7658 114.8531 58.8723 62.7931 175.4601 61 R 4.0427 8.0126 116.6446 57.5430 29.1524 175.3529 62 F 4.9411 7.7713 117.8371 56.0780 40.7190 174.8519 63 S 4.7438 8.3999 117.6091 57.3516 67.0351 172.4087 64 G 4.5943 8.4196 105.1815 46.4032 0.0000 172.2359 65 S 4.6048 8.8942 112.8269 58.5815 65.0679 175.6346 66 G 4.1312 8.9082 107.9712 45.8139 0.0000 172.8594 67 S 4.8569 8.3471 113.9419 56.9750 64.7456 172.8319 68 G 4.4530 8.7451 119.1792 45.1159 0.0000 174.8401 69 T 4.7993 6.9441 106.0610 62.0341 74.0535 172.2595 70 D 5.0907 7.4910 121.5914 52.4163 42.2961 175.0419 71 F 5.2370 9.6166 123.7561 56.3229 44.3914 173.9207 72 T 5.0051 8.6678 116.4788 62.0396 72.6620 172.3952 73 L 4.6105 8.2861 129.6062 52.2734 43.6731 175.5697 74 T 5.2846 7.6649 116.5974 57.8275 68.1413 172.3894 75 I 3.0711 7.4666 126.9988 63.0921 37.8414 176.9124 76 S 4.4450 8.2526 121.8755 59.7614 64.9004 173.7003 77 S 5.1508 7.4868 113.5128 55.0394 64.1294 173.9395 78 L 4.2262 8.3740 127.4855 55.4259 43.3392 175.4422 79 Q 4.7419 8.5051 119.9112 53.5579 32.6829 174.6319 80 P 4.0727 0.0000 0.0000 65.0366 31.5686 176.7096 81 E 4.5394 8.1383 113.7431 56.6595 30.2411 176.2520 82 D 4.7710 9.2298 120.0170 55.0522 41.2949 176.9836 83 F 5.4097 8.5025 114.2897 56.8624 36.6130 174.1185 84 A 4.3542 8.0251 125.0803 51.2492 22.1218 175.8520 85 T 5.1199 8.2758 116.1002 63.5686 70.2182 173.2103 86 Y 5.5832 8.6374 119.9745 57.1048 42.5771 174.4282 87 Y 4.7377 8.9125 117.8497 58.5261 42.8270 172.8454 88 C 5.0041 7.0343 111.5982 61.2703 32.4112 171.7684 89 Q 4.9374 8.1632 128.1841 56.1823 30.8793 173.4448 *98 F 4.4374 7.7822 126.2440 58.0272 40.2584 174.7471 99 G 3.9610 8.2816 116.6655 44.2620 0.0000 173.6880 100 Q 4.0059 8.2656 117.0186 59.2344 29.0017 177.7347 101 G 3.6561 6.6464 104.7416 44.1583 0.0000 171.9770 102 T 4.9830 7.5394 114.6270 63.8842 71.7436 173.6452 103 K 4.8308 8.5549 128.8794 54.9306 30.8498 177.2322 104 V 4.4177 7.7667 127.2795 62.5757 28.6858 174.3527 105 E 4.5941 8.8633 125.8303 56.3919 31.6600 177.3163 106 I 4.6121 7.8631 121.3881 60.0657 38.4733 174.8743 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 I 8.02 4.14 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.09 0.92 0.00 0.00 3 Q 8.05 4.42 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 4 M 8.48 4.57 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 5 T 8.79 4.57 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 1.22 0.00 0.00 6 Q 8.38 4.70 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.44 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 7 S 8.94 3.58 0.00 3.97 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 8 P 0.00 4.02 0.00 2.11 2.05 0.00 3.71 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 2.20 2.13 0.00 9 S 8.96 4.44 0.00 3.92 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 10 S 7.92 5.04 0.00 3.90 3.82 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 11 L 8.30 4.67 0.00 1.57 1.65 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.85 4.92 0.00 3.86 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 13 A 8.35 4.99 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 14 S 8.24 4.80 0.00 4.01 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 15 V 8.27 3.70 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 0.84 0.00 0.00 0.93 0.00 0.00 16 G 8.30 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 0.00 0.00 0.00 17 D 7.78 4.71 0.00 2.59 2.56 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 18 R 8.26 4.47 0.00 1.75 1.79 0.00 2.97 0.00 0.00 3.73 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 19 V 8.84 4.14 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 0.85 0.00 0.00 0.87 0.00 0.00 20 T 8.41 4.55 4.18 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 0.00 0.00 0.00 1.15 0.00 0.00 21 I 8.49 4.35 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.63 1.06 0.00 0.00 22 T 8.77 4.92 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 1.38 0.00 0.00 23 C 9.70 5.14 0.00 2.99 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 24 R 10.21 5.25 0.00 1.98 1.81 0.00 3.28 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 25 A 8.42 5.08 1.44 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 0.00 0.00 26 S 8.76 4.41 0.00 3.89 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 27 Q 8.30 3.33 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 28 S 8.21 4.22 0.00 3.86 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 29 I 9.64 4.64 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 1.09 0.00 0.00 30 S 7.76 3.57 0.00 3.96 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 31 S 7.87 5.14 0.00 3.42 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 32 Y 7.26 5.01 0.00 3.12 2.85 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 33 L 7.25 4.19 0.00 0.81 0.67 0.66 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.20 5.47 0.00 2.84 2.59 0.00 0.00 6.74 7.68 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 35 W 8.28 5.37 0.00 3.48 3.28 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 36 Y 9.14 5.09 0.00 3.01 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 37 Q 8.75 4.73 0.00 2.17 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.70 0.00 0.00 0.00 0.00 0.00 2.05 1.79 0.00 38 Q 8.21 4.38 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.16 2.44 0.00 39 K 8.57 3.89 0.00 1.65 1.60 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.40 7.81 40 P 0.00 4.43 0.00 1.98 1.90 0.00 3.51 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 41 G 9.25 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 42 K 7.02 4.53 0.00 1.90 1.72 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.29 7.81 43 A 8.34 4.04 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.74 0.00 2.21 1.99 0.00 3.61 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.82 0.00 45 K 8.69 4.38 0.00 1.47 1.67 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.35 1.25 7.81 46 L 8.25 4.02 0.00 1.39 1.30 0.20 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.69 4.35 0.00 1.60 1.51 1.13 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.46 4.76 2.10 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 1.49 1.39 1.09 0.00 0.00 49 Y 8.30 5.22 0.00 2.89 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 50 A 9.94 4.53 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 51 A 8.05 3.97 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 52 S 8.42 4.61 0.00 4.11 3.99 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 0.00 0.00 0.00 53 S 8.05 4.34 0.00 4.02 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 54 L 8.63 4.34 0.00 1.73 1.58 1.01 0.78 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 55 Q 7.99 4.78 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.62 0.00 0.00 0.00 0.00 0.00 2.14 1.82 0.00 56 S 8.67 4.12 0.00 3.87 3.82 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 57 G 8.61 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 58 V 7.38 3.93 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 0.72 0.00 0.00 0.70 0.00 0.00 59 P 0.00 4.37 0.00 2.45 2.29 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.11 0.00 60 S 8.77 4.63 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 61 R 8.01 4.04 0.00 1.61 2.06 0.00 2.29 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 62 F 7.77 4.94 0.00 2.91 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 63 S 8.40 4.74 0.00 3.82 3.93 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 64 G 8.42 4.59 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 65 S 8.89 4.60 0.00 3.95 3.82 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 66 G 8.91 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 0.00 0.00 0.00 67 S 8.35 4.86 0.00 3.85 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 68 G 8.75 4.45 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 69 T 6.94 4.80 4.18 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 0.00 0.00 0.00 1.22 0.00 0.00 70 D 7.49 5.09 0.00 2.56 2.43 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 71 F 9.62 5.24 0.00 3.19 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.67 5.01 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 1.23 0.00 0.00 73 L 8.29 4.61 0.00 0.27 0.13 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.66 5.28 4.09 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 1.07 0.00 0.00 75 I 7.47 3.07 1.61 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.29 0.52 0.00 0.00 76 S 8.25 4.45 0.00 3.76 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 77 S 7.49 5.15 0.00 3.77 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 78 L 8.37 4.23 0.00 1.75 1.57 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.51 4.74 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 80 P 0.00 4.07 0.00 2.08 2.17 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 81 E 8.14 4.54 0.00 2.15 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 0.00 2.34 2.40 0.00 82 D 9.23 4.77 0.00 2.85 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 83 F 8.50 5.41 0.00 3.27 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 84 A 8.03 4.35 0.98 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 85 T 8.28 5.12 4.60 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 1.28 0.00 0.00 86 Y 8.64 5.58 0.00 3.08 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 87 Y 8.91 4.74 0.00 3.01 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 88 C 7.03 5.00 0.00 2.51 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 0.00 0.00 0.00 89 Q 8.16 4.94 0.00 1.46 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.53 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 *98 F 7.78 4.44 0.00 3.00 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 99 G 8.28 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 0.00 100 Q 8.27 4.01 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 101 G 6.65 3.66 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 0.00 0.00 0.00 102 T 7.54 4.98 4.40 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 1.35 0.00 0.00 103 K 8.55 4.83 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.44 7.81 104 V 7.77 4.42 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 1.07 0.00 0.00 1.22 0.00 0.00 105 E 8.86 4.59 0.00 2.27 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 2.34 2.35 0.00 106 I 7.86 4.61 1.96 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 1.28 1.51 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.