NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1533 8.2644 123.5765 51.3217 20.0026 175.9119 3 D 4.1968 8.3361 118.7628 52.5685 41.0848 175.5303 4 K 3.8026 9.5180 128.0030 59.3460 33.5567 176.9136 5 E 4.3972 8.4133 117.5277 55.7775 29.8296 176.0752 6 L 3.7851 7.8807 121.8479 55.6761 42.5748 176.0408 7 K 4.6516 8.5692 127.1567 55.8910 33.3211 175.1747 8 F 5.4090 9.5521 126.8755 55.8603 42.0240 174.6149 9 L 5.1679 9.1481 123.9462 53.4845 44.6210 175.2125 10 V 4.6300 9.0677 127.8215 61.4867 33.3912 174.6028 11 V 4.8039 8.7544 129.6470 61.6579 32.9582 173.7996 12 D 4.7963 8.5012 125.7302 53.2619 44.4916 176.4677 13 K 3.9852 8.6550 125.6448 58.3318 32.5847 176.6239 14 F 5.0200 8.1847 118.5313 55.9969 39.7755 175.8139 15 S 4.3195 9.0492 122.5479 62.2364 63.0704 177.2899 16 T 4.1722 7.9599 112.6913 64.6021 67.8804 175.9121 *18 R 4.3532 8.0624 123.0830 56.4834 32.3520 178.1645 19 R 3.9507 8.2932 116.9729 59.2487 30.0006 179.0455 20 I 3.6863 7.8334 119.4848 64.4533 37.1266 178.6052 21 V 3.6198 7.8387 118.3574 66.0137 31.3746 177.6753 22 R 3.8427 8.4390 118.7587 59.6204 29.8908 178.1155 23 N 4.3194 8.6330 116.5038 56.4318 38.6109 177.4291 24 L 4.0253 8.1039 120.2916 57.6795 41.6023 179.5108 25 L 3.9241 8.0460 119.0835 57.6672 41.4806 179.4108 26 K 4.1078 8.1583 120.9746 59.0696 31.8727 178.5735 27 E 3.9669 8.0611 117.8886 59.2075 29.4857 178.5714 28 L 4.3536 7.6140 116.2259 55.0279 42.0680 177.6522 29 G 3.6799 8.0105 107.6818 44.9072 0.0000 173.3792 30 F 4.6818 8.4009 119.9679 56.0778 39.2277 175.7271 31 N 4.8005 8.7197 123.7257 53.6994 40.4694 174.7016 32 N 4.8018 8.0068 118.0130 52.5493 37.7425 172.6138 33 V 5.1372 7.9216 120.7508 60.4928 34.9708 173.6308 34 E 4.9886 9.5720 127.3888 54.5194 33.2335 174.1317 35 E 5.4265 8.8124 121.5491 54.7233 33.4650 175.1589 36 A 4.7013 8.9256 122.4138 50.7436 22.4993 176.8858 37 E 4.2404 9.1588 120.0966 56.8887 30.5064 175.6616 38 D 4.6347 7.5028 117.1579 51.3717 43.2113 175.9649 39 G 3.5305 8.4796 105.5200 47.8263 0.0000 175.9762 40 V 3.5271 7.6923 119.8739 66.0012 31.7485 177.6525 41 D 4.2964 8.7633 118.8363 57.2570 40.5278 178.5400 42 A 3.8039 8.0998 121.2740 55.1687 18.3935 179.1758 43 L 3.7709 8.0879 118.7062 58.3643 41.8558 178.6751 44 N 4.2468 8.0356 115.7689 56.7752 39.2490 176.7079 45 K 4.1744 7.9305 119.6218 59.3488 32.0857 179.2453 46 L 3.8576 7.9045 119.5575 58.0240 41.3797 179.5464 47 Q 3.9481 8.3157 117.8478 58.8361 28.9813 177.8088 48 A 4.1722 7.6860 120.9606 52.5571 18.5557 178.2940 49 G 3.9129 7.5100 102.3112 45.8736 0.0000 173.6987 50 G 3.8431 8.6226 106.7963 45.1752 0.0000 173.8267 51 Y 4.3726 7.6993 116.6236 57.8793 38.5851 175.3030 52 G 4.1338 8.6712 108.2952 45.6180 0.0000 172.4591 53 F 4.5241 7.5792 120.0643 57.0919 42.9144 172.4855 54 V 4.9602 8.3901 125.2831 61.1666 34.7696 174.0510 55 I 5.1319 9.0409 128.3644 59.7506 39.7367 174.5373 56 S 5.0888 8.9501 121.3647 56.4482 65.8431 172.9235 57 D 5.0560 8.4845 124.4461 53.3894 41.9327 175.4498 58 W 4.4899 8.8106 129.5985 58.8713 31.5672 175.1227 59 N 4.6829 7.9224 116.8462 51.6475 39.3145 173.0793 *61 P 4.0658 0.0000 0.0000 63.7825 32.3797 176.7894 62 N 4.3773 8.5829 116.0785 54.4851 37.5996 174.5087 *64 D 4.3642 7.6516 116.8364 52.6267 41.7189 176.3224 65 G 3.4492 8.6171 106.3882 47.7081 0.0000 175.7085 66 L 3.7440 6.8107 122.0117 57.7815 42.0667 178.5142 67 E 3.8159 8.3566 119.3985 59.0358 29.4903 178.3869 68 L 3.8436 7.9280 120.5023 58.0122 42.0373 178.6915 69 L 3.9031 8.0941 120.3948 58.2718 41.9646 179.1258 70 K 3.9659 8.3180 118.7034 59.7417 31.7087 179.5794 71 T 3.8778 7.9732 115.4815 66.5157 68.6457 176.5882 72 I 3.8254 7.8948 121.8113 64.5851 36.9978 178.8203 73 R 4.1687 8.1736 117.1044 58.3495 29.9203 177.9165 74 A 4.4357 7.2869 118.5462 51.2033 19.9290 176.7567 75 D 4.4337 7.3836 117.8385 53.5999 41.8569 176.8221 76 G 3.6432 8.7360 114.0625 47.7490 0.0000 174.0456 77 A 4.5622 8.3782 122.0729 52.0994 19.2488 177.3485 *79 S 4.5340 8.0734 114.7544 59.0483 64.6970 174.4115 80 A 4.4790 7.7695 120.2556 51.1281 19.3456 176.0828 81 L 3.9088 7.7920 118.7419 55.3349 42.6129 175.2565 82 P 4.1749 0.0000 0.0000 62.4522 32.8913 175.5768 83 V 4.5245 8.8051 123.4100 61.5642 34.4497 173.8754 84 L 4.4998 8.7142 133.4176 53.3957 45.7768 174.6159 *86 V 4.0141 8.1438 117.9372 63.7478 32.5767 175.0226 87 T 4.8960 8.1763 121.2023 61.1861 70.8231 174.2081 88 A 4.0747 8.7831 127.1162 54.4138 18.8251 178.1814 89 E 4.0668 8.0427 116.7540 57.1164 29.9464 176.9549 90 A 4.5515 8.3211 125.2688 52.3326 21.0898 175.9171 91 K 4.0537 8.8162 119.6583 56.8175 32.8904 177.8507 92 K 3.6239 8.9049 124.9401 59.8912 31.9014 178.4636 93 E 3.8805 8.1079 116.9135 59.6728 29.2125 178.7517 94 N 4.3477 7.9919 117.1536 55.8257 38.5630 177.4779 95 I 2.6469 6.9659 120.6972 63.8866 37.0073 178.3708 96 I 3.5607 7.7202 120.4489 64.3247 36.9408 178.1507 97 A 4.0334 8.0657 121.3507 55.2946 18.2123 179.5957 98 A 4.2015 8.5040 119.2751 55.3258 18.5951 179.6541 99 A 3.9708 8.1919 119.5050 55.3082 18.2239 179.5623 100 Q 3.8870 8.1972 116.9261 59.3570 29.3366 178.0763 101 A 4.2992 8.0419 118.8112 53.0251 18.4510 177.9831 102 G 3.9339 7.8034 105.6627 44.9047 0.0000 173.9333 103 A 4.1619 8.2040 122.3957 52.4150 18.7476 179.0316 104 S 4.2805 9.0332 117.9950 60.2291 63.2919 174.1842 105 G 4.1205 7.5112 105.3153 46.0226 0.0000 172.5906 106 W 5.1203 8.6981 129.2544 55.9694 33.8636 173.7142 107 V 4.4783 8.1648 126.5753 61.0155 33.8581 174.1944 108 V 4.6930 8.6498 128.1212 62.4777 32.3715 175.2656 109 K 4.8507 8.8277 128.0817 54.8760 33.1567 175.0842 110 P 4.3795 0.0000 0.0000 62.2101 32.3132 175.4518 111 F 5.0531 7.4799 115.1720 54.9582 40.9723 175.4500 112 T 4.3841 8.2869 111.8567 60.7977 71.3909 175.5793 113 A 4.1298 8.5637 123.6232 55.4872 18.3709 179.8719 114 A 3.9837 8.0709 118.6748 55.5946 18.3734 179.8054 115 T 3.7971 8.0183 114.0929 66.7116 68.5110 176.5814 116 L 3.6811 7.8024 121.7200 58.1809 42.0897 178.7839 117 E 3.8925 8.2437 118.4880 59.4114 29.3862 179.0844 118 E 3.9233 8.4273 119.4706 59.1282 29.7069 178.9178 119 K 3.9410 8.2031 118.7515 59.4700 32.0556 178.8371 120 L 3.5933 7.9736 119.3709 57.9998 41.5372 179.1240 121 N 4.0482 7.8948 115.7769 56.2765 38.5899 177.2204 122 K 3.8382 8.3413 121.0850 59.7188 32.2278 178.7194 123 I 3.7299 7.7367 119.8303 64.6234 36.8440 178.4250 124 F 4.6236 7.7983 117.2651 60.5701 38.4566 177.3276 125 E 4.1985 8.7952 118.6402 59.3185 29.1207 179.1658 126 K 4.0133 8.3949 118.2261 59.5448 32.3831 178.0862 127 L 4.4765 8.2398 116.8090 53.8681 41.7562 177.2105 128 G 4.4058 7.6778 113.7982 46.1631 0.0000 173.7196 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 A 8.26 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.34 4.20 0.00 2.80 2.60 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 4 K 9.52 3.80 0.00 1.72 1.79 0.00 1.55 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 5 E 8.41 4.40 0.00 2.00 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 0.00 2.42 2.38 0.00 6 L 7.88 3.79 0.00 1.75 1.72 0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.57 4.65 0.00 1.74 1.59 0.00 1.41 0.00 0.00 0.81 0.00 0.00 2.32 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.18 1.52 7.81 8 F 9.55 5.41 0.00 3.05 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 9 L 9.15 5.17 0.00 1.31 1.38 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.07 4.63 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 0.99 0.00 0.00 11 V 8.75 4.80 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 0.85 0.00 0.00 0.89 0.00 0.00 12 D 8.50 4.80 0.00 2.85 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 13 K 8.66 3.99 0.00 1.52 1.40 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 1.15 7.81 14 F 8.18 5.02 0.00 3.21 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 15 S 9.05 4.32 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 16 T 7.96 4.17 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 1.18 0.00 0.00 *18 R 8.06 4.35 0.00 2.09 2.06 0.00 3.31 0.00 0.00 3.68 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 19 R 8.29 3.95 0.00 2.13 2.00 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 20 I 7.83 3.69 1.95 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 1.39 0.94 1.01 0.00 0.00 21 V 7.84 3.62 2.24 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 0.99 0.00 0.00 1.03 0.00 0.00 22 R 8.44 3.84 0.00 1.94 2.06 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 23 N 8.63 4.32 0.00 2.89 2.86 0.00 0.00 7.09 6.73 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 24 L 8.10 4.03 0.00 1.71 1.73 1.11 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.05 3.92 0.00 1.71 1.56 0.49 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.16 4.11 0.00 1.91 1.97 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 27 E 8.06 3.97 0.00 2.21 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 2.58 2.51 0.00 28 L 7.61 4.35 0.00 2.06 1.93 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.01 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 30 F 8.40 4.68 0.00 3.03 2.92 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 31 N 8.72 4.80 0.00 2.65 2.83 0.00 0.00 7.18 7.79 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 32 N 8.01 4.80 0.00 2.90 3.02 0.00 0.00 6.61 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 33 V 7.92 5.14 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 0.93 0.00 0.00 0.96 0.00 0.00 34 E 9.57 4.99 0.00 2.27 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 2.33 2.35 0.00 35 E 8.81 5.43 0.00 1.88 1.82 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 2.24 2.32 0.00 36 A 8.93 4.70 1.15 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 0.00 0.00 37 E 9.16 4.24 0.00 1.91 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 0.00 2.18 2.34 0.00 38 D 7.50 4.63 0.00 3.03 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 39 G 8.48 3.53 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 0.00 0.00 0.00 40 V 7.69 3.53 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 1.10 0.00 0.00 0.89 0.00 0.00 41 D 8.76 4.30 0.00 2.69 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 42 A 8.10 3.80 1.29 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 0.00 0.00 43 L 8.09 3.77 0.00 1.84 1.64 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 44 N 8.04 4.25 0.00 2.90 2.93 0.00 0.00 7.31 6.61 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 45 K 7.93 4.17 0.00 1.83 1.77 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.59 7.81 46 L 7.90 3.86 0.00 1.73 1.65 0.80 0.84 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 47 Q 8.32 3.95 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 48 A 7.69 4.17 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 49 G 7.51 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 50 G 8.62 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 51 Y 7.70 4.37 0.00 2.99 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 52 G 8.67 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 53 F 7.58 4.52 0.00 2.51 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 0.00 0.00 0.00 54 V 8.39 4.96 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 0.94 0.00 0.00 0.87 0.00 0.00 55 I 9.04 5.13 1.97 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 1.36 0.90 0.91 0.00 0.00 56 S 8.95 5.09 0.00 3.77 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 57 D 8.48 5.06 0.00 2.86 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 58 W 8.81 4.49 0.00 3.13 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 59 N 7.92 4.68 0.00 2.86 2.75 0.00 0.00 6.86 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 *61 P 0.00 4.07 0.00 2.15 2.05 0.00 3.75 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 1.81 1.93 0.00 62 N 8.58 4.38 0.00 2.87 3.02 0.00 0.00 6.93 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 *64 D 7.65 4.36 0.00 2.83 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 65 G 8.62 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 66 L 6.81 3.74 0.00 0.80 1.19 1.07 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.36 3.82 0.00 1.96 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 2.24 2.25 0.00 68 L 7.93 3.84 0.00 1.76 1.73 0.85 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.09 3.90 0.00 1.86 1.90 0.94 1.00 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 70 K 8.32 3.97 0.00 1.79 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.66 7.81 71 T 7.97 3.88 4.31 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 1.18 0.00 0.00 72 I 7.89 3.83 1.98 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 1.47 0.66 0.87 0.00 0.00 73 R 8.17 4.17 0.00 1.76 1.99 0.00 3.31 0.00 0.00 3.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.97 0.00 74 A 7.29 4.44 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 75 D 7.38 4.43 0.00 2.78 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 76 G 8.74 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.38 4.56 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 *79 S 8.07 4.53 0.00 4.11 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 0.00 80 A 7.77 4.48 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 81 L 7.79 3.91 0.00 1.60 1.55 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.17 0.00 0.49 1.44 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.88 0.00 83 V 8.81 4.52 2.03 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 0.86 0.00 0.00 0.89 0.00 0.00 84 L 8.71 4.50 0.00 1.98 1.81 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 *86 V 8.14 4.01 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 0.85 0.00 0.00 0.70 0.00 0.00 87 T 8.18 4.90 4.27 0.00 0.00 0.00 0.00 0.00 0.00 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 88 A 8.78 4.07 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 89 E 8.04 4.07 0.00 2.09 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 2.00 2.29 0.00 90 A 8.32 4.55 1.24 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 0.00 0.00 91 K 8.82 4.05 0.00 1.93 1.69 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 92 K 8.90 3.62 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.44 7.81 93 E 8.11 3.88 0.00 2.22 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 0.00 2.35 2.44 0.00 94 N 7.99 4.35 0.00 2.50 2.21 0.00 0.00 6.98 6.56 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 95 I 6.97 2.65 1.57 0.00 0.00 -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 1.12 0.27 0.46 0.00 0.00 96 I 7.72 3.56 1.96 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 1.56 0.93 0.88 0.00 0.00 97 A 8.07 4.03 1.55 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 0.00 0.00 98 A 8.50 4.20 1.70 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 0.00 0.00 99 A 8.19 3.97 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.20 3.89 0.00 2.03 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 101 A 8.04 4.30 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 0.00 102 G 7.80 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 0.00 103 A 8.20 4.16 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 0.00 104 S 9.03 4.28 0.00 3.80 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 0.00 105 G 7.51 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 106 W 8.70 5.12 0.00 3.37 2.79 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 0.00 107 V 8.16 4.48 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 0.70 0.00 0.00 0.80 0.00 0.00 108 V 8.65 4.69 2.21 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 0.95 0.00 0.00 1.16 0.00 0.00 109 K 8.83 4.85 0.00 1.76 1.77 0.00 1.95 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.70 1.56 7.81 110 P 0.00 4.38 0.00 2.08 1.94 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 111 F 7.48 5.05 0.00 3.12 3.26 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 0.00 112 T 8.29 4.38 4.29 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 1.24 0.00 0.00 113 A 8.56 4.13 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 0.00 114 A 8.07 3.98 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 0.00 115 T 8.02 3.80 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 116 L 7.80 3.68 0.00 1.20 1.59 0.45 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.24 3.89 0.00 2.07 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 2.33 2.51 0.00 118 E 8.43 3.92 0.00 2.13 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 2.31 2.49 0.00 119 K 8.20 3.94 0.00 1.94 1.78 0.00 1.75 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.52 7.81 120 L 7.97 3.59 0.00 1.74 1.17 0.56 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.89 4.05 0.00 2.72 2.93 0.00 0.00 6.77 7.58 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 0.00 122 K 8.34 3.84 0.00 2.09 1.79 0.00 1.89 0.00 0.00 1.60 0.00 0.00 3.06 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.68 7.81 123 I 7.74 3.73 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.62 0.99 0.00 0.00 124 F 7.80 4.62 0.00 3.18 3.06 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 0.00 125 E 8.80 4.20 0.00 2.25 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 2.39 2.52 0.00 126 K 8.39 4.01 0.00 1.70 2.01 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 127 L 8.24 4.48 0.00 1.69 1.68 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.68 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 * Residues marked with a * may have inaccurate shift predictions.