NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.4538 8.1633 120.3200 54.7968 33.4845 176.0607 16 D 4.4453 8.5506 119.6719 55.8204 40.8451 175.1009 17 R 4.4902 6.8122 112.2287 55.0274 33.3130 173.9854 18 S 4.3103 8.3860 113.2199 57.8618 63.7260 173.8430 19 L 4.3390 8.4193 125.9679 54.8980 42.2812 178.5924 20 R 4.2317 9.5184 125.8182 57.5861 31.4566 173.0226 21 P 4.4887 0.0000 0.0000 66.0350 31.2303 178.8725 22 E 4.0148 8.2736 117.0556 59.7776 29.3677 179.2417 23 E 4.0409 8.1910 117.8272 59.2764 29.5918 179.2739 24 I 3.8461 7.9846 120.0925 64.5381 37.2337 178.2063 25 E 4.0554 8.3593 119.3281 59.5660 29.2774 179.2064 26 E 4.0769 8.5482 118.8429 59.5845 29.4486 179.5275 27 L 4.3430 8.4292 119.2998 57.8589 41.7468 179.6625 28 R 4.0160 8.7135 118.5901 59.2170 29.4819 178.6948 29 E 4.0412 8.5587 118.9948 58.9666 29.5752 178.5961 30 A 4.1963 8.1093 120.6594 55.0065 18.3801 179.3970 31 F 3.3544 8.4105 119.3547 61.2660 39.3685 177.4184 32 R 3.6307 7.9699 117.7272 59.2317 29.7896 178.5602 33 E 3.8226 7.8362 117.6320 59.1478 29.6730 178.1772 34 F 4.0642 8.3992 121.0393 61.7917 39.1628 176.9428 35 D 3.8243 8.2525 118.7009 57.5637 40.9570 178.6250 36 K 4.0156 7.8292 123.7870 59.4593 31.6963 181.2561 37 D 4.6867 7.8140 118.7330 55.9576 41.0158 176.7622 38 K 3.7555 7.0903 120.6746 56.2303 31.9924 175.7921 39 D 4.4536 7.9730 126.5844 52.2332 40.7470 174.4176 40 G 4.0413 8.1646 117.2682 44.2661 0.0000 171.7020 41 Y 4.9633 6.7778 115.8407 53.9553 41.0796 173.8886 42 I 4.5754 8.5056 118.4616 58.7113 40.9683 174.8839 43 N 5.0129 8.5165 124.6596 51.7660 40.7601 175.9936 44 C 4.2805 8.5779 120.1672 63.3539 28.2241 176.8411 45 R 3.9831 8.1844 121.8756 61.7559 28.9162 180.3919 46 D 4.5431 8.5673 119.6719 57.0209 41.0282 178.3192 47 L 4.2460 8.3814 121.3962 58.4664 41.9792 179.1112 48 G 3.8240 8.6078 105.6626 48.2845 0.0000 175.3435 49 N 4.5344 8.2509 117.7844 55.2873 38.4249 176.4451 50 C 4.8694 8.2024 116.1611 59.0204 30.3868 175.6403 51 M 4.2376 8.1308 121.4941 58.2824 31.4638 178.5929 52 R 4.3544 7.9433 119.3768 58.6970 29.9720 179.0113 53 T 4.0120 7.8215 115.5110 65.7597 68.1138 175.4175 54 M 4.6379 7.9064 116.4391 54.4335 32.0229 175.6620 55 G 3.8203 8.4679 106.8688 47.3674 0.0000 173.3747 56 Y 4.5384 8.1788 119.3687 55.5575 41.5115 173.9892 57 M 4.3693 7.7263 127.1928 53.1139 31.6098 174.1028 58 P 4.8295 0.0000 0.0000 62.2705 33.0434 176.2861 59 T 4.5735 8.8952 110.0002 59.9571 72.0176 175.0289 60 E 3.9005 8.7384 122.6496 60.0295 29.4917 179.0401 61 M 4.0167 7.9840 117.3775 58.7527 32.3867 177.8996 62 E 4.1717 8.2573 118.7366 59.4230 29.6325 179.2661 63 L 4.0448 8.1679 119.0842 57.8479 41.6767 179.7604 64 I 3.7364 8.0443 119.7797 64.4089 37.1028 177.9234 65 E 3.9466 8.1876 119.3244 59.7573 29.2762 179.6087 66 L 4.0052 8.6395 118.9909 57.9141 41.7784 179.8573 67 S 4.2163 8.2659 114.1783 61.6669 62.7957 176.5902 68 Q 4.1281 8.1699 121.6342 58.5547 28.4238 178.2929 69 Q 3.9851 8.2410 120.8688 59.1013 29.0791 178.0506 70 I 3.7934 8.1311 121.2014 64.6835 37.0896 178.2995 71 N 4.5280 8.7814 116.7268 55.6619 38.4144 176.6965 72 M 4.3593 7.9082 118.7612 57.3347 33.2555 177.6269 73 N 4.7271 8.3656 114.1891 53.8916 39.3010 176.0138 74 L 4.6295 7.7680 118.9052 53.3520 42.3439 176.4449 75 G 4.1706 9.1881 105.7287 46.4275 0.0000 175.7823 76 G 4.1299 8.0654 107.9236 46.1712 0.0000 174.6130 77 H 4.5689 8.1664 116.8229 54.9146 27.7110 174.9579 78 V 4.5516 8.3190 124.6315 60.5113 33.1280 175.6709 79 D 4.9035 8.6823 128.0941 52.4748 41.9741 176.7919 80 F 3.4231 8.4542 120.2295 61.0417 39.1005 176.5869 81 D 4.0817 8.0170 118.2266 57.2449 40.7234 178.1525 82 D 4.2728 8.7323 119.7028 57.3312 40.8974 178.3294 83 F 3.9065 8.0066 121.1176 61.4672 39.1817 177.3968 84 V 3.3200 7.4434 119.8484 66.4459 31.0498 178.1397 85 E 3.8555 7.7491 116.7327 61.2403 29.5370 180.8135 86 L 4.1373 7.5213 118.5265 57.8039 42.0122 179.0353 87 M 3.9569 8.0161 118.2767 56.7412 32.1918 178.5681 88 G 3.7529 7.7806 106.3802 47.7311 0.0000 173.6384 89 P 4.2266 0.0000 0.0000 64.9101 31.6424 178.5771 90 K 3.7105 7.5994 116.5664 59.1213 31.7889 178.7788 91 L 4.2038 7.8368 122.2383 57.7336 41.7714 179.1538 92 L 4.0400 8.2438 117.3575 57.2660 41.4945 178.3326 93 A 4.4914 7.5179 118.7580 51.1963 18.4897 176.7447 94 E 4.2155 7.6966 121.1527 56.9720 30.4007 177.1852 95 T 4.3708 8.2407 114.2239 60.5309 72.0584 175.6140 96 A 4.0123 8.2208 122.4367 55.0574 17.9840 179.2874 97 D 4.4390 7.3922 115.5924 57.0800 41.3772 177.9847 98 M 4.2159 7.8819 118.3227 58.1276 32.2409 178.1399 99 I 3.9045 7.4942 119.2664 61.7782 37.7933 177.6775 100 G 4.0766 7.4479 102.6842 45.4609 0.0000 174.5662 101 V 3.7182 8.2773 117.7117 66.0044 31.5586 177.6674 102 K 3.8378 8.2239 117.4804 60.1837 31.8079 178.6768 103 E 4.0570 8.1434 117.5798 59.5844 29.5020 179.3368 104 L 4.1683 8.0404 118.8378 57.8796 41.6224 179.6190 105 R 4.0259 8.1124 118.0576 59.7431 30.0729 177.7533 106 D 4.4035 8.2352 118.3036 57.6109 40.6976 178.4961 107 A 4.1122 8.4397 120.7401 55.6235 18.3903 179.0733 108 F 2.9291 8.4931 121.2545 62.0673 39.1016 178.2133 109 R 3.9798 8.1179 118.7134 61.7375 29.2166 180.1475 110 E 4.3530 8.1721 118.1930 59.0475 29.4502 179.4261 111 F 4.1436 7.7389 117.3236 59.9094 40.6982 177.1073 112 D 5.2670 7.9768 121.6513 52.6242 37.6634 176.3073 113 T 3.8709 7.7083 113.3163 64.2282 69.3756 176.5227 114 N 4.3635 8.5992 118.5870 53.3878 37.5134 175.2427 115 G 3.8487 7.9502 107.1815 46.8702 0.0000 173.5895 116 D 4.6215 8.7781 117.1617 52.5148 39.5137 176.7066 117 G 4.1070 9.0951 106.9199 46.3979 0.0000 173.3058 118 E 4.8504 8.3951 119.1905 54.4398 32.9380 174.9691 119 I 4.3898 9.4106 129.7263 60.2888 37.9064 175.5704 120 S 4.6252 8.7847 122.9033 58.0359 64.2447 175.2171 121 T 3.9017 8.9571 113.7429 65.6160 68.0295 176.4992 122 S 4.1692 8.0505 116.6185 60.7890 63.0976 176.0706 123 E 3.9229 8.0030 121.9622 59.0426 29.1194 178.8986 124 L 4.0216 8.2323 123.1043 58.8138 41.6590 179.9081 125 R 4.0266 7.9091 120.6127 61.1684 29.1562 181.0419 126 E 4.0583 7.8427 118.0961 59.3962 29.5748 178.8864 127 A 3.5340 7.7305 120.7787 55.4527 18.1607 179.5400 128 M 3.9911 8.3144 119.7695 59.2795 32.0469 179.9160 129 R 4.5505 7.6470 123.8046 61.4941 29.3017 181.5359 130 K 4.2260 7.9585 123.5649 59.4149 31.7339 181.4263 131 L 4.3488 7.7040 119.0277 57.9106 41.8043 179.2231 132 L 4.2494 8.1341 117.7201 55.3020 41.6244 178.1805 133 G 3.9311 9.3825 106.0736 45.6296 0.0000 172.4710 134 H 4.8683 7.4584 112.8274 53.5634 31.2106 172.7696 135 Q 4.2404 8.6065 119.7853 56.2656 29.0876 176.3089 136 V 4.4245 8.0086 121.2448 60.4197 34.1258 176.1001 137 G 3.8222 8.7822 114.8145 45.6626 0.0000 174.4477 *138 H 4.1559 9.0481 127.6758 60.6375 27.8300 176.5256 139 R 4.3960 8.0033 124.2684 60.8046 29.0995 180.3053 140 D 4.5729 7.8913 119.1602 57.2865 41.0307 178.8805 141 I 3.8121 7.9751 120.3555 64.2930 37.1508 178.3590 142 E 4.0376 8.0992 119.2983 59.6989 29.1123 178.2007 143 E 4.0878 8.3701 120.1983 58.1592 29.5129 178.9696 144 I 3.6224 8.0067 119.3384 64.4079 37.4722 177.9208 145 I 3.7724 7.8304 122.7987 65.4179 36.8050 179.3079 146 R 4.1258 8.0320 119.8449 61.5937 29.2483 180.0917 147 D 4.7212 8.0134 116.9545 56.1072 41.0353 177.0484 148 V 4.2100 7.2572 116.8400 62.6375 33.5825 174.8848 149 D 4.5893 8.5397 120.2965 53.8024 41.3812 175.5326 150 L 4.3233 8.9044 127.3460 56.6040 42.3388 177.3726 151 N 4.6238 8.6125 112.7059 51.9317 37.6444 174.9823 152 G 3.9740 8.1463 105.8821 46.9633 0.0000 173.9087 153 D 4.5821 8.2835 116.2553 52.5678 39.5913 177.6364 154 G 3.9185 9.3267 110.8836 46.3924 0.0000 173.8754 155 R 4.8940 7.6840 118.5180 54.9135 33.9287 180.1352 156 V 4.6772 8.8623 118.0666 62.6519 33.5915 175.2366 157 D 5.2127 9.0282 127.9283 52.0956 42.1774 177.1970 158 F 3.5003 8.7559 119.0867 61.3263 39.1960 176.1762 159 E 3.7410 8.7325 119.1295 59.5189 29.0913 178.3140 160 E 3.9482 8.5554 117.9057 59.7054 29.2687 179.3607 161 F 4.1638 8.3208 119.8302 61.3626 39.3803 177.1620 162 V 3.4348 7.9491 118.1822 65.6306 31.0377 178.1171 163 R 3.8397 7.8287 117.9422 59.7183 29.7491 178.6409 164 M 3.6823 6.9854 115.4824 58.4951 32.2495 177.9190 165 M 4.3900 7.2135 115.7813 54.3073 32.8171 175.6311 166 S 4.8993 8.1222 115.5542 56.6803 66.4349 174.5880 167 R 4.1270 8.4402 120.7255 56.5763 29.9556 176.5856 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 15 M 8.16 4.45 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 16 D 8.55 4.45 0.00 2.73 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 17 R 6.81 4.49 0.00 1.90 1.88 0.00 3.22 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 18 S 8.39 4.31 0.00 4.00 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 19 L 8.42 4.34 0.00 1.66 1.67 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 R 9.52 4.23 0.00 1.77 1.81 0.00 3.28 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 21 P 0.00 4.49 0.00 2.17 2.16 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 22 E 8.27 4.01 0.00 2.10 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 2.46 2.52 0.00 23 E 8.19 4.04 0.00 2.14 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 2.45 2.45 0.00 24 I 7.98 3.85 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.59 1.10 0.00 0.00 25 E 8.36 4.06 0.00 2.16 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 2.56 2.52 0.00 26 E 8.55 4.08 0.00 2.20 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 2.40 2.57 0.00 27 L 8.43 4.34 0.00 2.16 2.09 0.91 1.06 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 28 R 8.71 4.02 0.00 1.92 1.90 0.00 2.25 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 29 E 8.56 4.04 0.00 2.31 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 2.34 2.35 0.00 30 A 8.11 4.20 1.74 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 0.00 0.00 31 F 8.41 3.35 0.00 2.67 3.21 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 32 R 7.97 3.63 0.00 1.89 1.91 0.00 3.18 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.00 33 E 7.84 3.82 0.00 2.10 2.17 0.00 0.00 0.00 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 2.33 0.00 34 F 8.40 4.06 0.00 3.24 3.05 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 35 D 8.25 3.82 0.00 1.70 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 0.00 0.00 0.00 36 K 7.83 4.02 0.00 1.89 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.35 7.81 37 D 7.81 4.69 0.00 2.59 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 38 K 7.09 3.76 0.00 1.04 1.26 0.00 1.67 0.00 0.00 1.08 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.13 7.81 39 D 7.97 4.45 0.00 2.44 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 0.00 0.00 0.00 0.00 40 G 8.16 4.04 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 0.00 0.00 0.00 41 Y 6.78 4.96 0.00 3.16 3.11 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 42 I 8.51 4.58 1.90 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.92 1.19 0.00 0.00 43 N 8.52 5.01 0.00 3.13 3.18 0.00 0.00 6.28 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 44 C 8.58 4.28 0.00 3.03 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 45 R 8.18 3.98 0.00 1.81 1.96 0.00 3.25 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 1.64 1.31 0.00 46 D 8.57 4.54 0.00 2.93 2.77 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 47 L 8.38 4.25 0.00 1.97 1.80 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.61 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 0.00 0.00 0.00 49 N 8.25 4.53 0.00 2.97 3.09 0.00 0.00 7.06 7.26 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 50 C 8.20 4.87 0.00 3.33 3.48 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 51 M 8.13 4.24 0.00 2.32 2.44 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.55 0.00 52 R 7.94 4.35 0.00 2.07 2.02 0.00 3.17 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 1.88 1.91 0.00 53 T 7.82 4.01 4.52 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 1.28 0.00 0.00 54 M 7.91 4.64 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.71 0.00 55 G 8.47 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 0.00 0.00 0.00 56 Y 8.18 4.54 0.00 3.18 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 57 M 7.73 4.37 0.00 1.86 1.80 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 58 P 0.00 4.83 0.00 2.29 2.32 0.00 3.74 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 59 T 8.90 4.57 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 1.20 0.00 0.00 60 E 8.74 3.90 0.00 2.11 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 0.00 2.40 2.47 0.00 61 M 7.98 4.02 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.70 0.00 62 E 8.26 4.17 0.00 2.25 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 2.38 2.40 0.00 63 L 8.17 4.04 0.00 2.06 1.76 1.00 0.77 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 64 I 8.04 3.74 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 1.53 0.98 0.92 0.00 0.00 65 E 8.19 3.95 0.00 2.19 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 2.34 2.38 0.00 66 L 8.64 4.01 0.00 1.72 1.71 0.85 0.87 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 67 S 8.27 4.22 0.00 4.28 4.22 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 68 Q 8.17 4.13 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 69 Q 8.24 3.99 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 70 I 8.13 3.79 2.07 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 1.65 0.57 1.19 0.00 0.00 71 N 8.78 4.53 0.00 2.74 2.94 0.00 0.00 7.10 7.63 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 72 M 7.91 4.36 0.00 1.97 2.43 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.74 0.00 73 N 8.37 4.73 0.00 2.75 2.88 0.00 0.00 6.99 7.75 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 74 L 7.77 4.63 0.00 1.79 1.86 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 75 G 9.19 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 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 77 H 8.17 4.57 0.00 3.33 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.32 4.55 2.62 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 1.12 0.00 0.00 1.31 0.00 0.00 79 D 8.68 4.90 0.00 3.04 2.89 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 80 F 8.45 3.42 0.00 2.56 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 81 D 8.02 4.08 0.00 2.89 2.64 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 82 D 8.73 4.27 0.00 2.84 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 83 F 8.01 3.91 0.00 3.00 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 84 V 7.44 3.32 1.88 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 0.81 0.00 0.00 0.04 0.00 0.00 85 E 7.75 3.86 0.00 2.11 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 2.27 2.24 0.00 86 L 7.52 4.14 0.00 1.42 1.48 0.80 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 M 8.02 3.96 0.00 1.46 1.35 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.63 0.00 88 G 7.78 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 89 P 0.00 4.23 0.00 1.90 2.06 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 90 K 7.60 3.71 0.00 1.26 0.74 0.00 1.16 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.19 0.99 7.81 91 L 7.84 4.20 0.00 1.66 1.80 1.05 0.40 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 92 L 8.24 4.04 0.00 1.81 1.71 0.94 0.82 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 93 A 7.52 4.49 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 94 E 7.70 4.22 0.00 2.16 1.95 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 2.60 2.76 0.00 95 T 8.24 4.37 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 1.23 0.00 0.00 96 A 8.22 4.01 1.33 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 0.00 0.00 0.00 97 D 7.39 4.44 0.00 2.52 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.88 4.22 0.00 1.97 2.21 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.53 0.00 99 I 7.49 3.90 1.90 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 1.50 0.50 0.97 0.00 0.00 100 G 7.45 4.08 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 0.00 0.00 0.00 101 V 8.28 3.72 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 1.12 0.00 0.00 0.98 0.00 0.00 102 K 8.22 3.84 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.57 7.81 103 E 8.14 4.06 0.00 2.20 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 2.46 2.46 0.00 104 L 8.04 4.17 0.00 1.96 1.94 1.01 0.81 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 0.00 105 R 8.11 4.03 0.00 1.90 2.36 0.00 2.93 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 106 D 8.24 4.40 0.00 3.07 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 0.00 107 A 8.44 4.11 1.64 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 0.00 108 F 8.49 2.93 0.00 2.86 3.19 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 0.00 109 R 8.12 3.98 0.00 1.93 1.85 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 110 E 8.17 4.35 0.00 2.30 2.16 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 2.39 2.41 0.00 111 F 7.74 4.14 0.00 2.68 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 0.00 112 D 7.98 5.27 0.00 2.27 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 0.00 0.00 0.00 0.00 113 T 7.71 3.87 4.21 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 1.26 0.00 0.00 114 N 8.60 4.36 0.00 2.82 2.98 0.00 0.00 7.05 7.03 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 0.00 115 G 7.95 3.85 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 0.00 116 D 8.78 4.62 0.00 2.83 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 0.00 117 G 9.10 4.11 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 0.00 118 E 8.40 4.85 0.00 2.01 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 2.27 2.38 0.00 119 I 9.41 4.39 2.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.06 1.01 0.00 0.00 120 S 8.78 4.63 0.00 3.90 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 0.00 121 T 8.96 3.90 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 0.00 122 S 8.05 4.17 0.00 4.05 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 0.00 123 E 8.00 3.92 0.00 2.20 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 2.34 2.28 0.00 124 L 8.23 4.02 0.00 1.81 1.95 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.91 4.03 0.00 1.88 1.93 0.00 3.32 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 126 E 7.84 4.06 0.00 1.94 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 2.27 2.41 0.00 127 A 7.73 3.53 0.02 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 0.00 0.00 128 M 8.31 3.99 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 129 R 7.65 4.55 0.00 1.84 1.94 0.00 3.25 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 130 K 7.96 4.23 0.00 1.84 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.35 7.81 131 L 7.70 4.35 0.00 1.82 1.77 1.16 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.13 4.25 0.00 1.36 1.62 0.85 0.86 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 0.00 133 G 9.38 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 0.00 134 H 7.46 4.87 0.00 3.25 3.35 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.61 4.24 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 136 V 8.01 4.42 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 0.81 0.00 0.00 0.87 0.00 0.00 137 G 8.78 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 0.00 0.00 0.00 *138 H 9.05 4.16 0.00 2.93 3.11 0.00 7.22 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.00 4.40 0.00 1.81 1.99 0.00 3.29 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.18 0.00 140 D 7.89 4.57 0.00 2.85 2.75 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 0.00 141 I 7.98 3.81 1.88 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 1.69 1.40 0.92 0.00 0.00 142 E 8.10 4.04 0.00 2.16 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 2.34 2.40 0.00 143 E 8.37 4.09 0.00 1.99 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 0.00 2.43 2.35 0.00 144 I 8.01 3.62 1.90 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 1.54 1.23 0.95 0.00 0.00 145 I 7.83 3.77 1.89 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 1.63 0.83 0.94 0.00 0.00 146 R 8.03 4.13 0.00 1.89 1.86 0.00 3.27 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 147 D 8.01 4.72 0.00 2.82 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 0.00 148 V 7.26 4.21 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 0.80 0.00 0.00 0.96 0.00 0.00 149 D 8.54 4.59 0.00 2.77 2.59 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 0.00 150 L 8.90 4.32 0.00 1.82 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.61 4.62 0.00 2.82 2.93 0.00 0.00 5.96 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 8.15 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 0.00 0.00 0.00 153 D 8.28 4.58 0.00 2.83 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 0.00 154 G 9.33 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 0.00 155 R 7.68 4.89 0.00 1.51 1.67 0.00 3.24 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 1.46 1.40 0.00 156 V 8.86 4.68 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 1.14 0.00 0.00 1.03 0.00 0.00 157 D 9.03 5.21 0.00 2.96 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 0.00 158 F 8.76 3.50 0.00 2.28 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 0.00 159 E 8.73 3.74 0.00 2.13 1.93 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 2.27 2.37 0.00 160 E 8.56 3.95 0.00 2.29 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 2.44 2.43 0.00 161 F 8.32 4.16 0.00 3.20 3.30 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 0.00 162 V 7.95 3.43 1.91 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 0.82 0.00 0.00 0.20 0.00 0.00 163 R 7.83 3.84 0.00 1.98 1.91 0.00 3.33 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 164 M 6.99 3.68 0.00 1.77 2.01 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 2.56 2.56 0.00 165 M 7.21 4.39 0.00 2.00 1.77 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 166 S 8.12 4.90 0.00 3.78 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 0.00 167 R 8.44 4.13 0.00 1.77 1.81 0.00 3.22 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.