NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3382 8.1849 120.5693 53.8462 42.0279 174.9872 10 Q 3.8130 8.1106 119.9764 54.6974 29.3686 172.8260 11 E 4.8028 10.1363 123.1432 54.6293 33.9449 174.5645 12 H 4.9342 8.8674 118.5236 55.7039 30.1097 174.1463 13 I 4.8171 8.4428 124.9610 59.1690 40.3559 174.5592 14 L 4.8751 9.0816 129.1028 53.4152 44.1962 175.3604 15 I 4.5281 8.7988 129.4163 60.5860 38.3094 174.9389 16 I 4.6025 8.8133 129.4249 59.4412 39.3984 174.7881 17 L 5.2218 8.5757 128.7361 53.6030 44.7404 174.8340 18 D 4.8280 8.7331 125.5739 52.6360 42.3855 175.2342 19 D 3.7856 8.6358 117.3347 57.6848 40.8474 178.3918 20 A 4.3514 7.9240 119.0621 51.8202 19.3417 177.1255 21 G 3.7544 8.8790 104.8727 44.2327 0.0000 171.6922 22 R 5.1071 8.1394 118.9467 54.9609 31.2580 176.4709 23 R 4.7860 9.2456 122.0132 54.8929 33.6196 173.3814 24 E 5.1557 8.6744 118.6287 54.6279 32.2266 175.7238 25 V 4.3861 8.5446 122.6757 60.9369 35.0142 173.8053 26 L 4.7916 8.4392 129.3043 53.9285 43.1895 175.5373 27 L 4.2621 9.1883 127.7019 54.5868 41.4318 176.4314 28 T 4.5582 9.1210 120.6921 64.5012 70.7945 174.7750 29 E 4.4287 8.9236 120.2432 55.6164 30.9739 176.2803 30 T 4.2869 8.1862 115.2307 65.7835 69.7813 175.1782 31 F 5.4366 7.8114 121.4742 56.6605 42.9013 173.8487 32 Y 5.0406 8.1236 122.3921 56.7402 42.3307 174.4647 33 T 4.7160 10.0720 115.7010 60.7719 71.4752 173.8230 34 I 4.9673 8.8231 123.3205 59.2349 41.6956 175.1409 35 G 4.6494 8.0989 111.9015 46.4117 0.0000 173.4850 36 R 4.5874 8.7808 115.1659 56.8453 30.0694 177.0628 37 S 4.4928 7.7122 113.6296 56.8272 63.2817 172.8678 38 P 4.3570 0.0000 0.0000 65.1423 31.4477 178.3965 39 R 4.0126 8.3318 117.5796 58.8706 30.1164 177.5551 40 A 4.1624 7.4361 119.8484 52.4517 18.9276 177.1001 41 D 4.6012 8.8696 122.4322 56.7872 41.7357 176.7622 42 I 4.3550 7.8173 120.6296 59.3018 39.4652 175.4207 43 R 4.5105 8.5699 126.9376 55.9676 30.7433 176.7477 44 I 4.4004 8.7405 125.3514 58.9955 39.3229 174.4178 45 K 4.2165 9.1780 129.4754 57.1803 32.9057 175.7290 46 S 4.9626 8.2976 119.9734 58.2746 64.8191 177.0709 47 Q 4.1154 8.1957 121.9213 57.6828 28.9616 176.7100 48 F 4.7636 7.3461 115.7881 58.1703 39.3947 175.3339 49 V 4.3305 7.0222 120.7351 60.8834 32.7340 175.6303 50 S 4.4067 8.7135 122.6711 58.5032 63.9844 175.1324 51 R 3.9175 8.8816 120.2426 59.3347 30.8881 176.4258 52 I 4.5005 7.5829 119.3512 59.9538 39.2395 174.5792 53 H 4.4470 9.8093 129.0249 58.6454 31.3502 174.2063 54 A 5.2608 7.3458 117.3239 52.5351 22.5761 175.1654 55 V 4.7296 8.4551 109.2703 59.9038 36.6852 174.9776 56 L 5.1988 8.6591 123.1361 53.1124 44.6935 175.8984 57 V 5.0300 8.8109 117.3763 59.4426 34.8008 175.1005 58 R 3.6406 9.1066 129.4311 56.5828 30.1603 176.6210 59 K 3.8691 8.4019 128.0909 56.2850 32.4803 175.1164 *66 A 4.0003 7.5762 122.7487 51.9158 20.1470 175.3603 67 A 4.8123 7.9746 127.6197 51.4398 22.7453 174.5067 68 Y 4.7864 8.3287 110.7092 57.0268 40.6961 174.8720 69 R 4.9908 8.9118 122.5803 54.5485 33.2813 174.1507 70 I 4.9317 8.6546 125.9309 59.3128 40.6467 174.0385 71 I 4.9872 8.5130 129.7867 59.4185 40.1230 174.6062 72 D 4.7146 9.1903 126.4065 55.1847 42.6479 176.6458 73 G 3.8798 8.9768 110.0872 45.0973 0.0000 173.1107 74 D 5.1035 8.8476 119.1177 52.1650 41.0354 176.9823 75 E 4.1001 8.7385 117.5382 59.7616 29.4239 178.2424 76 D 4.4049 8.1526 116.7667 55.5281 41.1424 177.1525 77 G 3.9145 8.4273 107.6444 45.0750 0.0000 172.8224 78 Q 4.2283 8.5857 122.3782 54.8215 29.5969 175.8603 79 S 4.6880 8.4216 120.3039 57.1876 64.8566 173.0894 80 S 4.6427 7.9497 115.7096 56.8658 65.1397 174.2307 81 V 3.6555 8.4812 121.2991 65.1841 31.5670 176.7348 82 N 4.8098 8.0359 119.5095 50.5392 38.7995 175.8654 83 G 4.5657 8.1286 119.0123 44.9773 0.0000 175.0357 84 L 4.8693 8.4628 129.3035 52.3704 45.8783 173.4801 *86 I 3.9255 8.0165 118.7024 61.7063 38.4607 176.3869 87 N 4.1331 9.5898 125.9271 54.4458 35.7294 175.6060 88 G 3.9783 8.3063 103.6948 45.5317 0.0000 173.5682 89 K 4.5871 7.5672 118.6181 53.9140 34.8052 176.2234 90 K 4.3354 8.6562 123.2533 56.6709 32.5163 176.6530 91 V 4.5265 8.3680 116.6534 60.0067 35.1034 175.9795 92 Q 4.4109 8.7893 121.2542 58.0568 29.6574 175.6107 93 E 5.7066 7.8184 113.6030 54.3563 33.3022 173.9052 94 H 4.7019 8.3544 118.5776 55.2622 33.6449 172.4816 95 I 4.2077 8.1591 126.9007 60.3355 37.3147 175.7136 96 I 3.7017 8.0991 129.4108 61.7567 37.4396 176.1316 97 Q 4.5005 9.7511 127.2165 53.9191 30.4064 175.3016 98 T 4.5807 8.6182 116.4572 64.0352 67.5172 173.8922 99 G 4.1562 9.0495 116.7149 45.2875 0.0000 173.4365 100 D 4.6146 8.4590 120.8633 54.0817 42.3348 175.2685 101 E 4.6368 8.6924 122.8727 54.6424 31.9465 175.7094 102 I 4.1575 8.6824 130.3885 60.1550 37.5434 176.2211 103 V 4.0441 8.1555 127.2458 62.1239 32.9049 175.0447 *105 G 3.7594 8.3623 111.5633 44.1907 0.0000 170.5073 106 P 4.2795 0.0000 0.0000 63.9389 31.2825 176.8805 107 Q 3.8425 9.0851 123.1707 55.9570 27.8037 172.7765 108 V 4.9064 7.4268 115.4695 60.6846 34.1929 175.0155 109 S 4.8210 8.1844 115.4657 57.9914 66.8174 174.6803 110 V 4.9346 8.1879 113.7408 59.7994 34.8878 175.0439 111 R 5.0904 9.0222 124.4794 54.8634 32.6598 174.6489 112 Y 5.2518 8.5878 123.0432 56.2133 42.0358 174.2611 113 E 4.6109 7.6749 123.0131 55.1662 34.5779 173.9139 114 Y 5.1524 8.4298 126.0603 56.0835 37.9628 174.4636 115 R 3.9875 8.3608 124.1698 55.7533 31.4809 176.5224 116 R 3.9249 8.6326 125.8891 58.4266 30.8161 176.3598 117 R 4.1824 7.7974 117.0743 56.5537 30.2985 175.7047 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 L 8.18 4.34 0.00 1.52 1.70 0.92 0.62 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 10 Q 8.11 3.81 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.74 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 11 E 10.14 4.80 0.00 1.94 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 2.08 2.18 0.00 12 H 8.87 4.93 0.00 3.56 3.65 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.44 4.82 1.74 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 0.99 0.88 0.00 0.00 14 L 9.08 4.88 0.00 1.60 1.42 1.03 0.73 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 15 I 8.80 4.53 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.43 0.89 0.00 0.00 16 I 8.81 4.60 1.83 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 1.06 0.57 0.88 0.00 0.00 17 L 8.58 5.22 0.00 1.73 1.48 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.73 4.83 0.00 3.09 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 19 D 8.64 3.79 0.00 2.84 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 20 A 7.92 4.35 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 21 G 8.88 3.75 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 0.00 0.00 0.00 22 R 8.14 5.11 0.00 1.82 1.82 0.00 3.19 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 23 R 9.25 4.79 0.00 1.79 1.93 0.00 2.75 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 24 E 8.67 5.16 0.00 1.81 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 0.00 2.17 2.23 0.00 25 V 8.54 4.39 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 0.77 0.00 0.00 0.85 0.00 0.00 26 L 8.44 4.79 0.00 1.67 1.57 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 27 L 9.19 4.26 0.00 1.67 1.61 0.38 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 9.12 4.56 4.43 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 1.31 0.00 0.00 29 E 8.92 4.43 0.00 1.16 1.59 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 2.33 2.28 0.00 30 T 8.19 4.29 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 1.24 0.00 0.00 31 F 7.81 5.44 0.00 2.92 2.78 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 32 Y 8.12 5.04 0.00 2.72 2.55 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 33 T 10.07 4.72 4.28 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 1.38 0.00 0.00 34 I 8.82 4.97 1.85 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 1.08 0.87 0.93 0.00 0.00 35 G 8.10 4.65 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 36 R 8.78 4.59 0.00 1.91 2.13 0.00 3.04 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 0.00 37 S 7.71 4.49 0.00 3.89 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 38 P 0.00 4.36 0.00 2.09 2.11 0.00 3.74 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 2.11 0.00 39 R 8.33 4.01 0.00 1.80 2.03 0.00 3.20 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 40 A 7.44 4.16 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 41 D 8.87 4.60 0.00 2.93 3.01 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 42 I 7.82 4.36 1.76 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.37 0.79 0.00 0.00 43 R 8.57 4.51 0.00 1.68 1.85 0.00 3.15 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 44 I 8.74 4.40 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.88 0.88 0.00 0.00 45 K 9.18 4.22 0.00 1.83 1.69 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.35 7.81 46 S 8.30 4.96 0.00 3.78 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 47 Q 8.20 4.12 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.00 48 F 7.35 4.76 0.00 3.06 2.99 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 49 V 7.02 4.33 2.22 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 0.83 0.00 0.00 0.90 0.00 0.00 50 S 8.71 4.41 0.00 3.85 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 51 R 8.88 3.92 0.00 1.78 2.02 0.00 3.08 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 52 I 7.58 4.50 1.90 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 1.26 0.91 0.95 0.00 0.00 53 H 9.81 4.45 0.00 3.25 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.35 5.26 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 55 V 8.46 4.73 1.54 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 0.72 0.00 0.00 0.97 0.00 0.00 56 L 8.66 5.20 0.00 1.57 1.64 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.81 5.03 2.22 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 0.96 0.00 0.00 0.98 0.00 0.00 58 R 9.11 3.64 0.00 1.05 1.55 0.00 3.01 0.00 0.00 2.70 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.00 59 K 8.40 3.87 0.00 1.85 1.60 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.25 7.81 *66 A 7.58 4.00 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 67 A 7.97 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 8.33 4.79 0.00 2.72 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 69 R 8.91 4.99 0.00 1.81 1.86 0.00 3.04 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 70 I 8.65 4.93 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 1.23 1.72 0.97 0.00 0.00 71 I 8.51 4.99 1.90 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 1.14 0.68 0.94 0.00 0.00 72 D 9.19 4.71 0.00 2.77 2.52 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 73 G 8.98 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 0.00 0.00 0.00 74 D 8.85 5.10 0.00 2.91 3.03 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 0.00 0.00 0.00 75 E 8.74 4.10 0.00 2.06 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 0.00 2.66 2.59 0.00 76 D 8.15 4.40 0.00 2.77 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 77 G 8.43 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 78 Q 8.59 4.23 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 79 S 8.42 4.69 0.00 4.07 3.90 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 80 S 7.95 4.64 0.00 3.94 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 81 V 8.48 3.66 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 0.71 0.00 0.00 0.93 0.00 0.00 82 N 8.04 4.81 0.00 2.76 2.67 0.00 0.00 6.60 7.51 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 83 G 8.13 4.57 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 0.00 84 L 8.46 4.87 0.00 1.58 1.59 0.93 0.78 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 *86 I 8.02 3.93 1.77 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.05 0.82 0.00 0.00 87 N 9.59 4.13 0.00 2.84 2.87 0.00 0.00 7.19 7.65 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 88 G 8.31 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 89 K 7.57 4.59 0.00 1.74 1.69 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.35 7.81 90 K 8.66 4.34 0.00 1.72 1.75 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 91 V 8.37 4.53 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 0.73 0.00 0.00 0.99 0.00 0.00 92 Q 8.79 4.41 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 93 E 7.82 5.71 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 2.17 2.13 0.00 94 H 8.35 4.70 0.00 3.23 3.12 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.16 4.21 1.74 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.58 0.81 0.00 0.00 96 I 8.10 3.70 1.40 0.00 0.00 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 1.20 0.52 0.68 0.00 0.00 97 Q 9.75 4.50 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 98 T 8.62 4.58 4.53 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 1.34 0.00 0.00 99 G 9.05 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 0.00 100 D 8.46 4.61 0.00 2.80 2.63 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 0.00 101 E 8.69 4.64 0.00 1.94 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 0.00 2.17 2.30 0.00 102 I 8.68 4.16 1.86 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 1.09 0.84 0.89 0.00 0.00 103 V 8.16 4.04 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 0.74 0.00 0.00 0.95 0.00 0.00 *105 G 8.36 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 0.00 106 P 0.00 4.28 0.00 1.65 1.81 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.64 0.00 107 Q 9.09 3.84 0.00 2.29 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 108 V 7.43 4.91 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 0.88 0.00 0.00 1.00 0.00 0.00 109 S 8.18 4.82 0.00 3.88 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 0.00 110 V 8.19 4.93 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 0.71 0.00 0.00 0.92 0.00 0.00 111 R 9.02 5.09 0.00 1.74 1.84 0.00 3.08 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 112 Y 8.59 5.25 0.00 3.02 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 0.00 113 E 7.67 4.61 0.00 1.74 1.61 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 2.18 2.19 0.00 114 Y 8.43 5.15 0.00 2.95 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 0.00 115 R 8.36 3.99 0.00 1.82 1.65 0.00 3.07 0.00 0.00 3.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 116 R 8.63 3.92 0.00 1.68 1.83 0.00 3.35 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 117 R 7.80 4.18 0.00 2.09 1.95 0.00 3.08 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.