NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8061 8.3649 120.2652 53.2381 42.3744 172.2437 6 F 4.6910 9.1219 117.8900 57.1847 40.0397 173.1139 7 E 4.9161 6.1757 129.6765 55.0465 30.1045 174.2820 8 E 4.0935 8.2582 117.9417 57.1517 30.7402 178.6388 9 K 4.5448 9.5775 126.5184 54.2428 34.5734 174.8414 10 M 4.4126 8.5730 124.6946 55.6142 31.5597 176.4796 11 I 4.1989 9.2178 124.2021 63.8056 38.5123 175.3699 12 L 4.4690 7.3572 119.5821 55.4990 43.8248 173.0409 13 I 5.7846 8.2703 117.9906 60.5867 41.4267 174.8203 14 R 4.7363 8.1122 122.0881 56.3559 31.2080 174.4402 15 R 4.4349 7.9198 120.5024 55.6914 30.7640 173.9527 16 T 3.7483 7.8414 108.4446 60.9611 68.5086 172.3810 17 A 4.4230 8.6896 131.6052 52.4447 20.1107 176.7825 18 R 4.6207 8.1713 113.9593 54.9324 33.4819 174.8908 19 M 4.4898 8.4348 119.8631 53.7237 34.2122 175.4179 20 Q 4.9714 8.2767 126.3277 55.9762 32.7595 172.1534 21 A 4.0255 8.1718 127.6285 52.7518 19.5780 176.5682 22 G 4.3494 8.9922 111.1609 44.3532 0.0000 174.3503 23 G 3.9492 7.2073 106.1496 45.7442 0.0000 170.4696 24 R 4.5297 8.3243 117.2356 54.2577 31.9774 175.7189 25 R 4.3059 8.3287 124.0046 54.9011 31.1591 176.0677 26 F 4.7284 8.6967 127.9057 59.5493 40.8923 174.4234 27 R 4.7352 7.6723 120.0754 57.5603 32.9983 173.8499 28 F 5.3903 8.4579 119.2067 55.5984 43.8321 174.1002 29 G 4.4997 9.1299 107.5040 44.4152 0.0000 171.9255 30 A 4.9556 8.4023 125.2947 49.8124 22.0940 174.7072 31 L 4.6480 8.4715 125.8259 53.7759 43.7691 175.2524 32 V 4.7000 8.5075 126.7621 60.9699 34.7899 174.3200 33 V 5.1487 8.2673 126.7133 61.2201 34.6023 174.6834 34 V 4.8877 8.0599 125.3399 59.9536 34.9720 174.1934 35 G 4.8400 8.8476 110.0831 45.3577 0.0000 172.0843 36 D 5.0867 8.4612 116.6872 52.3973 40.7195 177.4123 37 R 4.1166 8.1010 118.0719 56.9013 27.6427 177.1723 38 Q 4.3911 10.7000 117.5575 55.3314 30.2750 176.5735 39 G 4.5393 7.3598 117.0178 45.9764 0.0000 171.4377 40 R 4.7721 7.1837 120.9198 54.4755 33.2478 175.3639 41 V 4.7603 7.9139 113.9771 60.5619 36.4732 172.8942 42 G 4.4850 9.0584 109.1402 43.8832 0.0000 171.1968 43 L 5.4592 8.4680 122.4533 53.0599 45.0072 175.7994 44 G 4.4158 9.1743 111.7959 44.7476 0.0000 170.9248 45 F 5.1854 8.9075 123.9132 56.0760 41.5135 174.5184 46 G 4.3944 8.9507 114.0388 44.4919 0.0000 172.3944 47 K 5.5420 9.1276 121.9345 53.5387 35.1473 175.3988 48 A 4.8674 8.5450 125.8162 49.3800 22.7268 174.9778 49 P 4.4179 0.0000 0.0000 64.3275 32.1919 175.9221 50 E 4.2365 8.5101 119.0106 53.0164 32.4527 174.9167 51 V 3.2912 7.1083 122.1044 65.1021 31.3152 176.1508 52 P 4.1708 0.0000 0.0000 66.2384 31.0737 177.9059 53 L 3.9143 7.9968 118.3717 57.6280 41.7144 179.5387 54 A 4.1443 8.0812 120.0743 54.8074 17.7093 179.7973 55 V 3.5031 7.9621 117.4751 66.2326 31.6255 177.9462 56 Q 3.9748 8.2246 118.9959 59.3346 28.9185 178.0946 57 K 4.0692 8.1244 119.2831 59.9661 32.0170 178.3586 58 A 4.3008 8.2406 120.3830 55.4244 18.2121 179.5832 59 G 3.7895 8.0022 102.3687 48.1932 0.0000 174.5876 60 Y 4.3496 8.2358 121.0761 61.2051 38.6887 177.9622 61 Y 3.9257 8.4668 117.3891 61.0723 37.9286 177.3710 62 A 4.1238 9.1127 122.6701 55.7438 18.1393 179.4962 63 R 3.8357 8.4705 116.6013 59.3687 30.5046 178.9232 64 R 3.9624 7.3993 116.0649 57.8251 29.9038 176.1030 65 N 5.0841 8.1054 115.3974 51.6353 42.6770 172.8234 66 M 5.9243 8.2157 122.6110 54.0120 34.1696 174.8887 67 V 4.1939 7.7603 118.2780 61.9347 33.8942 174.0214 68 E 4.1246 8.6254 125.2717 56.1451 27.0170 175.1593 69 V 3.8808 7.7000 119.3269 60.5520 31.1736 175.2550 70 P 4.6294 0.0000 0.0000 61.8909 29.6111 177.1812 71 L 4.2809 7.3722 117.8797 56.4115 43.1706 178.6758 72 Q 4.5403 8.4386 119.2344 54.7765 30.0739 174.6639 73 N 4.5801 8.2759 110.3574 53.3537 37.0272 176.3396 74 G 4.4028 8.9574 108.7198 46.2572 0.0000 174.1681 75 T 4.6991 7.4223 109.5527 60.0992 71.1297 172.9686 76 I 4.8093 7.2722 113.0984 58.2088 40.0222 173.9226 77 P 4.3749 0.0000 0.0000 64.7762 31.5157 175.8091 78 H 4.5784 7.2383 111.7207 54.5899 30.3790 173.0533 79 E 4.7553 8.7397 119.5444 56.3987 30.9314 175.2447 80 I 4.7759 8.7082 114.4858 59.9442 42.0244 173.2037 81 E 5.0663 8.5699 120.5041 54.9199 33.0288 176.4639 82 V 4.2535 8.6730 123.7797 60.7159 31.9005 175.1036 83 E 4.5593 8.3615 124.6482 55.3662 27.1239 174.7291 84 F 4.4491 8.3588 122.8423 58.0295 41.0985 176.0909 85 G 3.3704 7.8810 119.6534 46.7726 0.0000 175.3281 86 A 4.3397 8.3882 129.6741 52.7238 19.9844 178.0062 87 S 5.0226 7.4141 110.6220 58.1028 64.8935 173.4532 88 K 4.7449 8.3892 121.2660 54.9488 36.0632 174.6490 89 I 4.9301 8.2408 124.6617 59.4606 41.7223 173.5435 90 V 5.0129 8.4295 128.3161 61.0865 34.9779 174.0428 91 L 4.9889 9.0364 126.1816 52.8324 45.5403 175.3696 92 K 4.8018 9.1580 125.2076 53.5385 35.0471 173.5089 93 P 4.7133 0.0000 0.0000 63.4847 31.5112 175.4083 94 A 4.9340 8.3933 122.8401 49.6976 22.0040 175.7395 95 A 4.1518 8.4376 121.8424 50.9626 19.3026 175.7093 96 P 5.3052 0.0000 0.0000 63.9934 31.7135 176.9521 97 G 4.0642 8.7667 109.9097 45.8688 0.0000 174.6115 98 T 4.0285 7.2374 115.7877 64.2683 69.4467 176.3822 99 G 4.2439 8.1533 105.0674 43.9800 0.0000 172.5086 100 V 3.9308 7.9326 112.4136 60.5486 32.0777 176.7669 101 I 4.2876 8.1540 120.7791 59.7978 38.0082 174.4404 102 A 5.3421 7.4684 129.8045 52.1298 22.1781 174.6741 103 G 3.9189 8.5353 104.7135 43.7746 0.0000 174.6106 104 A 4.1304 8.5099 117.9658 53.3898 18.4277 177.7048 105 V 4.2798 8.6343 116.7193 63.8659 33.9254 176.1870 106 P 4.2798 0.0000 0.0000 65.3874 30.8465 178.2876 107 R 3.8852 7.8964 118.0256 59.1606 30.1827 177.8166 108 A 3.9821 8.0261 118.2284 54.6081 18.6566 178.1112 109 I 4.1587 7.1812 116.3666 63.2223 38.5006 177.7732 110 L 4.0769 7.7579 119.1311 58.7302 41.4145 178.7434 111 E 4.0443 8.6857 118.8726 59.3876 29.2887 178.4259 112 L 4.2550 7.6814 113.9688 56.0577 41.8077 178.2510 113 A 4.5413 7.7890 120.9937 51.7210 20.0655 178.1974 114 G 3.8599 8.5057 104.5628 44.9306 0.0000 173.0723 115 V 4.6156 7.6011 118.7209 60.9932 33.6164 173.8788 116 T 4.3263 8.5004 115.1768 62.8208 70.4204 173.2214 117 D 4.9292 7.7460 127.0578 52.4104 41.8048 174.7942 118 I 4.6851 8.3389 122.6670 59.9562 42.3936 172.8765 119 L 5.2093 8.7746 126.2604 53.1074 44.4536 175.9243 120 T 5.1954 8.1959 112.5530 59.0210 72.9336 173.2012 121 K 4.4203 8.1014 119.9487 55.8817 35.2652 173.7666 122 E 4.5103 8.9752 128.5419 55.9266 29.7848 175.9870 123 L 4.4364 8.1748 129.4896 54.9989 43.9610 176.1736 124 G 3.5792 8.6262 110.4448 47.1728 0.0000 172.9838 125 S 4.3175 7.8852 119.3664 58.8083 62.9582 174.7462 126 R 4.5944 8.1598 119.7068 55.2094 31.2242 175.7721 127 N 4.3442 8.0004 118.1835 53.2930 39.5839 172.8955 128 P 4.1820 0.0000 0.0000 66.2719 31.6925 178.1964 129 I 3.5654 7.8785 117.4352 64.8002 37.0701 177.6372 130 N 4.6967 7.9026 116.0061 55.7580 38.8614 177.4855 131 I 3.8549 8.0737 121.0871 64.6616 37.0176 176.9746 132 A 4.0475 8.5660 122.2728 55.0488 17.9953 178.5238 133 Y 3.9911 7.7351 114.0934 60.1211 38.0305 179.3815 134 A 4.0325 7.6490 121.1255 55.6146 18.8679 179.5293 135 T 4.0062 8.3708 114.6691 67.1253 68.5180 176.4630 136 M 3.9348 8.2755 120.6717 58.8722 31.8445 178.3155 137 E 3.9832 8.0699 118.9948 58.5949 30.0895 178.9030 138 A 4.1279 7.9872 121.1149 55.4430 18.4785 179.4675 139 L 3.9177 7.8112 116.8408 57.8867 41.6717 179.3245 140 R 4.1211 7.7084 115.6247 57.9828 30.0317 176.3946 141 Q 4.5750 7.5441 114.4754 56.0813 30.0234 174.9566 142 L 4.4593 8.7208 120.5284 54.2142 42.1323 176.5175 143 R 4.6658 8.9009 122.9373 54.7754 32.3453 176.3627 144 T 4.5152 8.0502 112.2409 60.1511 71.6915 175.8671 145 K 3.7505 8.7001 122.6574 60.1661 31.7159 178.3872 146 A 4.0646 8.0072 120.0822 54.6752 18.6115 178.4938 147 D 4.4990 8.9472 116.6062 58.2311 41.0621 178.9588 148 V 3.8927 8.5095 119.7077 64.1312 31.0429 176.6137 149 E 3.9718 7.4004 118.7080 57.9011 30.4005 178.6525 150 R 4.0807 8.5496 121.7962 59.4136 30.3472 177.5113 151 L 4.6908 7.1962 112.6674 55.1471 41.2920 177.1621 152 R 4.6583 7.8105 115.1427 55.7829 30.8755 175.6939 153 K 4.3099 7.4543 114.9366 57.5957 35.4386 177.2773 154 G 3.8005 7.8721 114.4801 46.6824 0.0000 173.6342 *155 E 4.1319 7.8225 117.4112 56.2719 30.4399 177.4990 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 5 D 8.36 4.81 0.00 2.76 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 6 F 9.12 4.69 0.00 2.99 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 7 E 6.18 4.92 0.00 2.22 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 2.22 2.30 0.00 8 E 8.26 4.09 0.00 2.06 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 2.32 2.35 0.00 9 K 9.58 4.54 0.00 1.86 1.69 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.37 7.81 10 M 8.57 4.41 0.00 2.05 2.11 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 2.55 2.51 0.00 11 I 9.22 4.20 1.85 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 1.28 0.67 0.94 0.00 0.00 12 L 7.36 4.47 0.00 1.64 1.74 0.90 0.60 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 13 I 8.27 5.78 1.93 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 1.03 1.03 1.07 0.00 0.00 14 R 8.11 4.74 0.00 1.95 2.08 0.00 3.01 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 15 R 7.92 4.43 0.00 1.55 1.78 0.00 2.46 0.00 0.00 3.02 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.64 0.00 16 T 7.84 3.75 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 1.26 0.00 0.00 17 A 8.69 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.17 4.62 0.00 1.78 1.92 0.00 2.74 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 19 M 8.43 4.49 0.00 1.87 2.01 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 20 Q 8.28 4.97 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 21 A 8.17 4.03 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 22 G 8.99 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 23 G 7.21 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 24 R 8.32 4.53 0.00 1.37 1.65 0.00 2.99 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.00 25 R 8.33 4.31 0.00 1.92 1.83 0.00 3.15 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 26 F 8.70 4.73 0.00 2.91 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 27 R 7.67 4.74 0.00 2.01 1.85 0.00 3.19 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 28 F 8.46 5.39 0.00 3.00 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 29 G 9.13 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 0.00 0.00 0.00 0.00 30 A 8.40 4.96 1.18 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 0.00 0.00 0.00 31 L 8.47 4.65 0.00 1.46 1.45 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.51 4.70 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 0.92 0.00 0.00 0.97 0.00 0.00 33 V 8.27 5.15 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 0.78 0.00 0.00 0.94 0.00 0.00 34 V 8.06 4.89 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 1.09 0.00 0.00 35 G 8.85 4.84 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 36 D 8.46 5.09 0.00 2.95 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 37 R 8.10 4.12 0.00 2.11 2.14 0.00 3.13 0.00 0.00 3.35 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 38 Q 10.70 4.39 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.28 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 39 G 7.36 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.18 4.77 0.00 2.07 1.58 0.00 3.20 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 41 V 7.91 4.76 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 0.57 0.00 0.00 0.87 0.00 0.00 42 G 9.06 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.47 5.46 0.00 1.61 1.51 1.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.17 4.42 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 0.00 45 F 8.91 5.19 0.00 3.15 2.84 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 46 G 8.95 4.39 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 0.00 47 K 9.13 5.54 0.00 1.73 1.89 0.00 1.80 0.00 0.00 1.60 0.00 0.00 2.31 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.83 1.59 7.81 48 A 8.54 4.87 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 49 P 0.00 4.42 0.00 2.12 2.26 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 50 E 8.51 4.24 0.00 1.88 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 51 V 7.11 3.29 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 1.04 0.00 0.00 0.32 0.00 0.00 52 P 0.00 4.17 0.00 2.25 2.26 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 53 L 8.00 3.91 0.00 1.86 1.80 0.91 0.83 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 54 A 8.08 4.14 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 55 V 7.96 3.50 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 0.99 0.00 0.00 0.95 0.00 0.00 56 Q 8.22 3.97 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 57 K 8.12 4.07 0.00 2.23 2.36 0.00 1.84 0.00 0.00 1.80 0.00 0.00 3.29 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.59 1.83 7.81 58 A 8.24 4.30 1.53 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 59 G 8.00 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 0.00 0.00 0.00 60 Y 8.24 4.35 0.00 2.91 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 61 Y 8.47 3.93 0.00 3.15 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 62 A 9.11 4.12 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 63 R 8.47 3.84 0.00 1.86 2.18 0.00 3.34 0.00 0.00 3.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 64 R 7.40 3.96 0.00 1.78 2.17 0.00 3.12 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 65 N 8.11 5.08 0.00 2.76 2.57 0.00 0.00 6.60 7.25 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 66 M 8.22 5.92 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 67 V 7.76 4.19 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 0.58 0.00 0.00 0.90 0.00 0.00 68 E 8.63 4.12 0.00 1.94 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 2.29 0.00 69 V 7.70 3.88 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 0.82 0.00 0.00 1.00 0.00 0.00 70 P 0.00 4.63 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.11 0.00 71 L 7.37 4.28 0.00 1.63 1.64 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.44 4.54 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.23 0.00 0.00 0.00 0.00 0.00 2.28 2.54 0.00 73 N 8.28 4.58 0.00 2.76 3.25 0.00 0.00 7.42 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 74 G 8.96 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 0.00 0.00 0.00 0.00 75 T 7.42 4.70 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 1.40 0.00 0.00 76 I 7.27 4.81 1.81 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 1.34 0.72 0.88 0.00 0.00 77 P 0.00 4.37 0.00 2.20 2.16 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.85 0.00 78 H 7.24 4.58 0.00 3.17 3.28 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.74 4.76 0.00 1.99 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 2.27 2.38 0.00 80 I 8.71 4.78 1.88 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 1.27 1.13 0.93 0.00 0.00 81 E 8.57 5.07 0.00 1.82 1.85 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 2.21 2.29 0.00 82 V 8.67 4.25 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 0.90 0.00 0.00 0.96 0.00 0.00 83 E 8.36 4.56 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 2.33 2.28 0.00 84 F 8.36 4.45 0.00 3.16 3.04 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 0.00 0.00 0.00 85 G 7.88 3.37 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 0.00 86 A 8.39 4.34 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 87 S 7.41 5.02 0.00 3.95 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 88 K 8.39 4.74 0.00 1.79 1.56 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 89 I 8.24 4.93 1.91 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 1.25 1.14 0.96 0.00 0.00 90 V 8.43 5.01 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 1.00 0.00 0.00 0.94 0.00 0.00 91 L 9.04 4.99 0.00 1.55 1.52 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.16 4.80 0.00 1.77 1.63 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 93 P 0.00 4.71 0.00 2.11 2.19 0.00 3.77 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 2.00 2.00 0.00 94 A 8.39 4.93 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 95 A 8.44 4.15 1.27 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 0.00 0.00 0.00 96 P 0.00 5.31 0.00 2.05 2.02 0.00 3.70 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 97 G 8.77 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 0.00 0.00 0.00 98 T 7.24 4.03 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 1.26 0.00 0.00 99 G 8.15 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 0.00 0.00 0.00 0.00 100 V 7.93 3.93 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 0.81 0.00 0.00 0.98 0.00 0.00 101 I 8.15 4.29 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 1.37 0.68 0.91 0.00 0.00 102 A 7.47 5.34 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 0.00 103 G 8.54 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 0.00 0.00 0.00 104 A 8.51 4.13 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 0.00 105 V 8.63 4.28 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 1.02 0.00 0.00 0.93 0.00 0.00 106 P 0.00 4.28 0.00 2.31 2.31 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 107 R 7.90 3.89 0.00 1.90 2.19 0.00 3.21 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 108 A 8.03 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 0.00 109 I 7.18 4.16 2.01 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 1.52 0.91 0.90 0.00 0.00 110 L 7.76 4.08 0.00 1.72 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.69 4.04 0.00 2.01 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 2.42 2.50 0.00 112 L 7.68 4.25 0.00 1.69 1.74 0.97 0.71 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 0.00 113 A 7.79 4.54 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 0.00 114 G 8.51 3.86 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 0.00 0.00 0.00 115 V 7.60 4.62 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 0.90 0.00 0.00 0.95 0.00 0.00 116 T 8.50 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 0.00 117 D 7.75 4.93 0.00 2.68 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 0.00 118 I 8.34 4.69 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 0.97 0.91 0.00 0.00 119 L 8.77 5.21 0.00 1.66 1.53 0.96 0.50 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 0.00 120 T 8.20 5.20 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 0.00 121 K 8.10 4.42 0.00 1.86 1.67 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.49 7.81 122 E 8.98 4.51 0.00 1.90 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 2.31 2.35 0.00 123 L 8.17 4.44 0.00 1.56 1.52 0.93 1.02 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 0.00 124 G 8.63 3.58 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 0.00 0.00 0.00 125 S 7.89 4.32 0.00 3.80 3.78 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 0.00 126 R 8.16 4.59 0.00 1.79 1.86 0.00 3.58 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 127 N 8.00 4.34 0.00 2.73 2.71 0.00 0.00 7.19 7.56 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 0.00 128 P 0.00 4.18 0.00 2.20 2.11 0.00 3.70 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 2.13 2.22 0.00 129 I 7.88 3.57 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.90 0.74 0.00 0.00 130 N 7.90 4.70 0.00 2.90 2.97 0.00 0.00 7.15 7.49 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 0.00 131 I 8.07 3.85 1.89 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 1.66 0.83 0.97 0.00 0.00 132 A 8.57 4.05 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 0.00 133 Y 7.74 3.99 0.00 1.64 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 0.00 0.00 0.00 134 A 7.65 4.03 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 0.00 135 T 8.37 4.01 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 0.00 136 M 8.28 3.93 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.84 0.00 137 E 8.07 3.98 0.00 1.88 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 2.37 2.41 0.00 138 A 7.99 4.13 1.40 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 0.00 0.00 0.00 139 L 7.81 3.92 0.00 1.79 1.71 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.71 4.12 0.00 1.89 2.09 0.00 3.43 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 141 Q 7.54 4.58 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.53 0.00 142 L 8.72 4.46 0.00 1.70 1.56 0.91 0.01 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 0.00 143 R 8.90 4.67 0.00 1.87 1.87 0.00 3.37 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 144 T 8.05 4.52 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 1.22 0.00 0.00 145 K 8.70 3.75 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.54 7.81 146 A 8.01 4.06 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 0.00 147 D 8.95 4.50 0.00 2.94 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 0.00 148 V 8.51 3.89 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 1.10 0.00 0.00 0.98 0.00 0.00 149 E 7.40 3.97 0.00 2.12 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 0.00 2.61 2.27 0.00 150 R 8.55 4.08 0.00 1.95 2.14 0.00 3.08 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 151 L 7.20 4.69 0.00 1.75 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.81 4.66 0.00 1.70 1.86 0.00 3.12 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 153 K 7.45 4.31 0.00 1.86 1.66 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.60 7.81 154 G 7.87 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 0.00 0.00 0.00 *155 E 7.82 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.