NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9270 8.3549 109.7380 45.2043 0.0000 173.0274 0 S 4.3672 8.1700 114.9071 57.9985 64.6548 171.9630 1 M 5.0981 9.2806 121.9509 53.9110 35.1244 174.9838 2 K 4.9590 8.9553 120.5238 54.5656 37.0819 175.1402 3 K 4.7184 9.2298 125.7210 55.3696 33.7976 175.2641 4 V 4.6047 9.0134 128.6485 61.6496 33.2410 174.0960 5 E 5.2356 9.3980 128.1937 54.5200 32.1956 174.8636 6 A 4.9525 9.2008 126.2385 50.0880 22.3958 174.7457 7 I 4.8738 8.4906 124.3013 59.8322 38.9314 174.9923 8 I 5.0497 8.6446 120.5671 58.4232 41.8174 175.0891 9 R 4.2621 8.3628 120.8576 55.5219 30.7788 176.5610 10 P 4.2651 0.0000 0.0000 65.5232 31.5127 178.0072 11 E 4.2188 8.1155 113.7356 57.6264 29.9183 177.7364 12 K 4.3593 7.9874 119.1338 56.4298 32.5349 177.8285 13 L 3.9239 7.6535 121.7622 58.3235 42.0634 178.6502 14 E 3.9805 8.1130 117.8520 59.3943 29.4393 179.2779 15 I 3.6728 7.6598 119.2555 64.3840 37.2068 178.4626 16 V 3.5946 7.9378 119.3269 65.9162 31.3009 178.2045 17 K 3.9833 8.4873 119.0525 59.6831 32.3633 179.1354 18 K 3.8867 8.1801 120.6238 59.2804 32.0602 178.5734 19 A 4.0414 8.1234 121.0851 55.2169 18.2117 179.6146 20 L 4.0928 8.2650 117.6027 58.0768 41.7390 179.8298 21 S 4.1416 8.3578 115.2801 61.9500 62.6172 176.6541 22 D 4.3914 8.4251 120.1236 56.8037 40.5796 177.7401 23 A 4.3953 7.4864 118.8867 51.9168 19.0068 177.9189 24 G 3.6277 8.0540 106.5062 45.3737 0.0000 174.3009 25 Y 4.5091 7.4294 118.1646 56.6467 36.8154 174.9454 26 V 3.9345 8.1183 124.1460 63.6637 32.7310 176.2402 27 G 3.8944 8.0277 108.9826 45.1111 0.0000 172.3029 28 M 5.0750 8.2527 122.0525 53.8192 34.6907 174.2528 29 T 4.6976 8.9754 117.2220 61.8087 71.6866 173.3394 30 V 4.9254 8.4166 124.9294 61.2627 34.0982 174.6550 31 S 4.8814 9.1585 123.0589 56.7569 67.1735 172.6764 32 E 4.7763 8.7075 121.7149 55.4242 30.6153 175.7382 33 V 4.6606 8.5858 117.0580 59.5189 36.6060 174.3039 34 K 5.0779 8.6703 119.5558 54.8937 35.3074 176.1648 35 G 4.3510 9.3785 110.1531 44.4658 0.0000 171.1024 36 R 5.0759 7.8341 119.0828 54.3097 32.8400 174.2668 37 G 3.5987 9.4783 116.1806 47.1205 0.0000 176.1163 38 V 4.0705 7.9950 118.3998 60.5107 36.6899 174.1378 *52 I 4.0736 8.1827 107.1783 62.3536 38.4421 176.3735 53 V 3.8233 7.6707 119.1818 62.9027 32.3479 175.6401 54 D 4.7092 8.5522 120.0007 53.7679 40.9554 175.2704 55 L 5.0457 7.8519 120.5936 53.7360 42.7937 175.9019 56 I 4.6841 8.9095 117.5355 57.9572 41.1534 173.2577 57 P 4.8290 0.0000 0.0000 63.2109 31.9696 175.6723 58 K 4.7844 9.3077 122.4045 55.0081 37.5488 175.1442 59 V 4.8564 8.6283 113.8438 59.5943 34.8284 175.0335 60 K 4.8865 9.0493 127.0021 55.1604 33.9497 174.8539 61 I 4.8798 8.8408 129.0358 59.6543 39.6739 174.4111 62 E 5.1583 9.3312 126.6309 54.4108 32.6769 174.7324 63 L 4.9051 9.0220 126.5569 53.2223 45.3578 174.9809 64 V 4.7180 8.5089 126.4164 61.8004 32.6435 175.1029 65 V 4.7152 8.7852 120.3589 59.0146 36.6290 175.2999 66 K 4.3916 8.6139 121.0221 56.4344 32.9211 177.8455 67 E 3.9057 9.1521 124.0246 59.7352 29.2030 179.4374 68 E 4.0730 8.1786 115.6990 58.9728 29.9069 177.8264 69 D 4.6835 8.2774 118.8822 55.0179 41.1382 178.5074 70 V 3.4956 7.5605 119.6042 66.0368 31.5014 177.3967 71 D 4.3244 8.0679 118.0657 57.4609 40.7212 178.2487 72 N 4.2846 8.0820 116.8629 56.6470 39.0420 176.8389 73 V 3.3091 7.7449 119.6395 65.9450 31.4727 177.9582 74 I 3.6253 7.8674 119.6785 64.4500 36.8594 178.0632 75 D 4.3304 8.1985 119.6231 57.4793 40.7166 178.9414 76 I 3.6953 7.7906 120.0726 64.4624 37.0551 178.6158 77 I 3.6567 7.8265 120.4927 64.5316 36.9715 178.2343 78 C 4.0464 8.2128 117.7130 62.8481 27.7699 175.7442 79 E 3.9104 8.1589 119.5833 59.2515 29.3249 177.9997 80 N 4.6139 8.0199 113.6277 54.2144 39.1712 176.3427 81 A 4.4056 7.9983 121.1677 51.8926 20.0038 177.7030 82 R 4.3178 7.1997 113.7772 56.3371 30.1747 176.6411 83 T 4.4019 9.4984 108.7368 60.6902 70.3115 175.2383 84 G 3.9406 8.7762 109.5228 45.1667 0.0000 172.6644 85 N 4.9519 7.6541 116.8188 50.3333 40.6704 172.7168 86 P 4.2550 0.0000 0.0000 64.7920 31.7682 176.6524 87 G 4.0888 8.9223 110.0748 45.4632 0.0000 174.2079 88 D 4.2843 7.3679 120.7288 55.8487 40.9892 174.9362 89 G 4.1983 7.9431 101.8783 44.5390 0.0000 172.3731 90 K 4.5936 8.1944 115.7241 54.6057 36.7942 175.6229 91 I 4.6009 7.9000 122.0536 59.4327 40.1683 174.9482 92 F 5.1392 8.9831 124.9442 55.6601 42.3415 174.2614 93 V 4.8782 8.5791 122.4491 61.3042 33.3086 174.6850 94 I 4.7765 8.7501 128.9301 58.5582 40.5618 173.2768 95 P 4.6595 0.0000 0.0000 62.7814 32.2128 175.5963 96 V 4.3621 8.1293 122.6330 61.4368 32.6463 175.3574 97 E 4.2902 9.0106 127.1821 58.0449 30.1733 176.5953 98 R 4.6387 7.5342 116.6934 54.6891 33.3325 173.7143 99 V 4.5049 8.3036 123.1929 61.0768 34.8987 174.0425 100 V 4.8408 8.3094 126.6530 61.0018 34.3681 174.4684 101 R 4.1199 9.0696 129.5700 55.7344 30.3911 177.2089 102 V 3.5776 8.7024 126.9021 66.0706 31.9292 177.0155 103 R 4.0495 8.1793 118.8664 58.9100 29.9650 176.8825 104 T 4.3315 7.6941 103.9217 60.2152 70.1759 174.2999 105 K 3.8673 8.3681 121.5006 56.8439 31.7128 174.9664 106 E 4.0993 8.0061 117.2143 56.8925 29.8635 175.9561 107 E 5.6682 7.8813 120.2461 54.6517 34.0141 177.6573 108 G 3.9525 8.4663 106.4846 45.7909 0.0000 176.0593 109 K 4.1031 8.5620 118.1890 59.3723 33.0952 179.1646 110 E 4.0644 8.1154 116.1696 58.2857 29.8427 177.6951 111 A 4.1210 7.6994 121.8016 53.9455 18.8060 177.3285 112 L 4.2948 7.5178 120.1343 54.9249 41.8126 176.3677 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 G 8.35 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 0.00 0.00 0.00 0 S 8.17 4.37 0.00 4.06 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 1 M 9.28 5.10 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 2 K 8.96 4.96 0.00 1.60 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 K 9.23 4.72 0.00 1.79 1.69 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 4 V 9.01 4.60 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 0.92 0.00 0.00 0.87 0.00 0.00 5 E 9.40 5.24 0.00 2.08 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 2.28 2.31 0.00 6 A 9.20 4.95 1.11 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 0.00 0.00 7 I 8.49 4.87 1.81 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 1.28 1.26 0.92 0.00 0.00 8 I 8.64 5.05 1.84 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 1.36 0.71 0.86 0.00 0.00 9 R 8.36 4.26 0.00 1.88 2.21 0.00 3.12 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 10 P 0.00 4.27 0.00 2.17 2.10 0.00 3.59 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 2.11 2.07 0.00 11 E 8.12 4.22 0.00 2.07 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 2.27 2.27 0.00 12 K 7.99 4.36 0.00 1.92 1.85 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.38 1.74 7.81 13 L 7.65 3.92 0.00 1.78 1.76 0.92 0.77 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 14 E 8.11 3.98 0.00 2.02 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 2.40 2.35 0.00 15 I 7.66 3.67 2.00 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 1.52 0.62 0.97 0.00 0.00 16 V 7.94 3.59 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 1.12 0.00 0.00 1.00 0.00 0.00 17 K 8.49 3.98 0.00 2.00 2.13 0.00 1.38 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.45 7.81 18 K 8.18 3.89 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.46 7.81 19 A 8.12 4.04 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 20 L 8.27 4.09 0.00 1.96 2.00 0.91 1.16 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 21 S 8.36 4.14 0.00 4.13 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 22 D 8.43 4.39 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.49 4.40 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 24 G 8.05 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 4.51 0.00 3.08 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 26 V 8.12 3.93 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 0.80 0.00 0.00 0.92 0.00 0.00 27 G 8.03 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 0.00 0.00 0.00 28 M 8.25 5.07 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 29 T 8.98 4.70 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 1.22 0.00 0.00 30 V 8.42 4.93 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 0.82 0.00 0.00 0.94 0.00 0.00 31 S 9.16 4.88 0.00 3.76 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 32 E 8.71 4.78 0.00 1.85 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 2.25 2.33 0.00 33 V 8.59 4.66 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 0.78 0.00 0.00 1.00 0.00 0.00 34 K 8.67 5.08 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.41 7.81 35 G 9.38 4.35 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 0.00 36 R 7.83 5.08 0.00 1.79 1.77 0.00 3.08 0.00 0.00 3.06 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 37 G 9.48 3.60 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 0.00 0.00 0.00 38 V 8.00 4.07 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 0.72 0.00 0.00 0.93 0.00 0.00 *52 I 8.18 4.07 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 0.89 0.91 0.00 0.00 53 V 7.67 3.82 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 0.76 0.00 0.00 0.93 0.00 0.00 54 D 8.55 4.71 0.00 2.74 2.94 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 55 L 7.85 5.05 0.00 1.55 1.65 0.93 0.83 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 56 I 8.91 4.68 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 1.23 1.39 0.91 0.00 0.00 57 P 0.00 4.83 0.00 1.96 2.03 0.00 3.62 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 2.03 2.12 0.00 58 K 9.31 4.78 0.00 1.59 1.79 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.55 7.81 59 V 8.63 4.86 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 0.72 0.00 0.00 0.97 0.00 0.00 60 K 9.05 4.89 0.00 1.83 1.69 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.44 7.81 61 I 8.84 4.88 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 1.22 0.43 0.90 0.00 0.00 62 E 9.33 5.16 0.00 1.85 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 2.23 2.23 0.00 63 L 9.02 4.91 0.00 1.66 1.41 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.51 4.72 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 0.86 0.00 0.00 0.94 0.00 0.00 65 V 8.79 4.72 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 0.66 0.00 0.00 0.88 0.00 0.00 66 K 8.61 4.39 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.55 1.47 7.81 67 E 9.15 3.91 0.00 2.10 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 2.32 2.35 0.00 68 E 8.18 4.07 0.00 2.18 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 0.00 2.31 2.44 0.00 69 D 8.28 4.68 0.00 2.91 2.88 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 70 V 7.56 3.50 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 1.09 0.00 0.00 0.99 0.00 0.00 71 D 8.07 4.32 0.00 2.73 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 72 N 8.08 4.28 0.00 2.89 3.05 0.00 0.00 6.79 7.71 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 73 V 7.74 3.31 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 0.75 0.00 0.00 -0.00 0.00 0.00 74 I 7.87 3.63 1.98 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 1.46 0.58 0.87 0.00 0.00 75 D 8.20 4.33 0.00 2.84 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 76 I 7.79 3.70 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.94 0.00 0.00 77 I 7.83 3.66 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.86 0.00 0.00 78 C 8.21 4.05 0.00 3.13 2.95 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 79 E 8.16 3.91 0.00 2.08 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 2.32 2.36 0.00 80 N 8.02 4.61 0.00 2.84 2.85 0.00 0.00 6.98 7.36 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 81 A 8.00 4.41 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 82 R 7.20 4.32 0.00 2.02 2.00 0.00 3.00 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.55 0.00 83 T 9.50 4.40 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 84 G 8.78 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 85 N 7.65 4.95 0.00 2.78 2.71 0.00 0.00 6.92 7.39 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 86 P 0.00 4.26 0.00 2.03 2.01 0.00 3.63 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 87 G 8.92 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 0.00 0.00 0.00 0.00 88 D 7.37 4.28 0.00 2.58 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 89 G 7.94 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 90 K 8.19 4.59 0.00 1.04 1.26 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 91 I 7.90 4.60 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.45 0.82 0.00 0.00 92 F 8.98 5.14 0.00 2.92 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 93 V 8.58 4.88 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 0.82 0.00 0.00 0.93 0.00 0.00 94 I 8.75 4.78 1.90 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 1.28 0.56 0.91 0.00 0.00 95 P 0.00 4.66 0.00 2.07 2.05 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 8.13 4.36 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 0.84 0.00 0.00 0.97 0.00 0.00 97 E 9.01 4.29 0.00 2.00 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 2.28 2.29 0.00 98 R 7.53 4.64 0.00 1.72 1.74 0.00 3.18 0.00 0.00 3.48 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 99 V 8.30 4.50 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 0.93 0.00 0.00 0.94 0.00 0.00 100 V 8.31 4.84 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 0.99 0.00 0.00 101 R 9.07 4.12 0.00 1.91 1.79 0.00 3.16 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 102 V 8.70 3.58 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 0.82 0.00 0.00 0.93 0.00 0.00 103 R 8.18 4.05 0.00 1.81 1.94 0.00 3.24 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.69 4.33 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 0.00 105 K 8.37 3.87 0.00 1.90 1.91 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.54 7.81 106 E 8.01 4.10 0.00 2.09 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 2.33 2.29 0.00 107 E 7.88 5.67 0.00 1.91 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 2.19 2.22 0.00 108 G 8.47 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 0.00 0.00 0.00 109 K 8.56 4.10 0.00 1.96 2.09 0.00 1.51 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.43 7.81 110 E 8.12 4.06 0.00 2.22 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 0.00 2.45 2.25 0.00 111 A 7.70 4.12 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 0.00 112 L 7.52 4.29 0.00 1.85 1.61 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.