NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2488 8.3149 121.7892 56.1567 33.3354 174.9342 3 I 4.5527 8.2022 124.7454 59.1879 40.0581 173.1763 4 I 4.5888 9.6251 128.3810 59.5469 40.8374 174.7975 5 S 5.1226 8.6317 121.3992 56.8367 66.0141 173.6132 6 K 4.7379 9.1481 123.8774 54.7354 36.3742 175.4595 7 E 5.2906 8.9131 123.0478 54.7115 32.7393 175.0528 8 F 5.1993 8.3876 116.3121 55.7817 41.8698 173.1682 9 T 5.2195 8.7146 109.1920 60.2125 71.7045 173.6462 10 V 4.5959 8.7747 115.3867 59.6531 36.3625 174.3216 11 K 4.9422 8.6740 125.9522 55.2353 32.9786 175.8547 12 T 4.4163 8.9607 119.0793 61.4257 69.7001 175.1562 13 R 4.3742 9.3166 122.4702 56.3510 31.0038 175.4894 14 S 4.5266 7.3354 111.9642 57.0269 65.6579 174.6150 15 R 4.5094 8.7298 121.6450 58.5971 30.6287 175.8121 16 F 5.1336 8.1774 116.2841 55.7619 40.8168 174.5438 17 D 4.9448 8.7434 122.3818 53.0905 45.3131 173.8862 18 S 5.1495 8.5251 116.4763 56.7730 66.0166 173.1671 19 I 4.6013 8.7122 124.5650 59.2084 40.7622 174.0988 20 D 5.0012 8.9742 127.2981 53.8401 41.5643 175.4512 21 I 4.7499 8.5920 118.8835 60.3018 38.3177 177.4380 22 T 3.8598 8.3772 120.4055 67.4842 68.1870 175.9851 23 E 3.9804 7.9863 120.8661 59.0544 29.4046 179.3904 24 Q 3.6339 7.6990 117.4605 58.6556 28.4651 178.8275 25 V 3.7445 7.6951 119.7104 65.8408 31.6801 178.2583 26 S 4.1307 8.2852 114.3008 61.3801 62.6245 176.4723 27 E 4.0381 8.0200 121.6682 59.1042 29.0600 178.9800 28 A 4.1734 7.8680 119.7561 54.3223 18.7679 178.7816 29 I 4.0848 7.5447 110.8203 60.5402 38.0692 175.9991 30 K 4.0302 7.1800 120.6665 57.4978 32.3167 175.5512 31 G 3.7708 8.5993 113.9155 45.3339 0.0000 173.8387 32 I 4.3994 7.9338 121.8820 59.5953 39.1692 175.7252 33 N 4.4909 9.2445 123.8486 54.8467 39.8190 174.5287 34 N 5.4055 8.1390 116.1221 50.8704 42.7264 173.0068 35 G 4.2955 7.5099 113.5391 46.4356 0.0000 170.9601 36 I 5.0027 7.6605 122.0311 59.3838 41.5468 174.1559 37 A 4.8899 8.9851 128.5064 50.5887 21.4365 175.1362 38 H 4.8336 9.1504 121.0147 54.2962 30.8880 174.5750 39 V 4.5391 8.6964 125.5625 61.8243 32.4916 174.7285 40 I 5.1609 9.1360 129.1706 59.5172 40.8456 175.0655 41 V 4.5056 8.3821 118.7479 59.1665 34.0926 175.6900 42 K 4.3775 8.3393 123.1211 56.8757 32.2932 176.3306 43 H 4.9221 7.8440 115.6287 54.7751 30.2294 175.0345 44 T 4.5255 8.3242 109.2995 61.8679 69.9912 175.0629 45 T 4.9062 7.7862 111.9658 61.3849 70.2419 172.7984 46 C 5.1700 8.1035 114.7326 57.1878 33.2793 172.2566 47 A 4.9127 9.1046 120.9256 50.5610 23.1217 174.6408 48 I 5.0912 8.0801 119.1182 59.6389 39.7793 175.7642 49 I 4.7014 8.6055 118.6889 59.2255 41.6781 174.2282 50 I 4.7227 8.0739 123.4237 60.4444 39.0313 174.0563 51 N 4.7896 8.5196 126.7055 53.1871 42.6985 172.0801 52 E 5.2379 9.3432 118.3002 55.3555 30.4963 176.8802 53 A 4.7443 8.4541 129.7932 52.2063 19.6015 176.9952 54 E 4.1220 8.1016 120.6973 57.0924 30.7005 176.0190 55 S 4.2676 9.0460 120.6678 61.6765 62.6378 176.0485 56 G 3.6958 8.5940 108.3754 48.5388 0.0000 176.6435 57 L 4.3390 7.8241 124.1619 53.3997 41.2667 179.0341 *59 K 4.2910 8.2301 117.9599 56.4421 34.2095 178.0581 60 D 4.5335 8.1116 118.6788 57.6860 40.6932 179.0041 61 F 4.6619 7.8509 117.9174 60.8101 38.8940 177.8645 62 L 4.3548 8.1320 117.8707 58.1597 41.7005 179.1647 63 N 4.1670 8.5458 116.7121 56.0307 38.3356 177.4817 64 W 3.8582 8.9294 120.4973 58.9941 29.1569 178.6060 65 A 4.1161 8.2036 121.1099 55.2441 17.7710 179.8304 66 K 3.9259 8.3229 117.1382 59.4528 31.7666 179.8244 67 K 3.8788 7.5489 118.1214 59.2396 31.9784 179.1587 68 L 4.3854 8.0943 118.6892 56.3663 42.7913 177.7540 69 V 4.4347 7.7009 117.9065 59.2928 31.6340 171.4679 70 P 4.5824 0.0000 0.0000 61.1029 31.9289 175.9413 71 P 4.4267 0.0000 0.0000 65.4422 31.4006 176.8529 72 D 4.6894 8.1226 115.5595 54.2577 40.9854 176.3482 73 G 3.6383 8.2670 109.9237 44.7737 0.0000 172.7336 74 E 4.1235 7.9481 120.2315 55.0456 30.1213 175.5610 75 F 4.8908 8.4055 124.2288 54.9609 42.5187 175.6947 76 E 4.1003 9.0299 125.4852 59.5163 29.2410 178.7882 77 H 4.2350 8.3969 118.1597 59.0253 29.7936 176.2348 78 N 5.2988 7.8144 117.2331 54.4473 38.3288 176.6013 79 I 3.9125 7.4563 122.1539 63.5833 37.2407 177.3190 80 I 4.1538 7.7128 119.8076 61.8850 38.5806 175.6761 81 D 4.6594 6.9822 116.9039 53.0458 44.1924 174.4289 82 N 5.1243 8.5545 123.4666 53.4378 37.9279 174.7292 83 N 5.0476 7.9092 111.2687 52.9064 38.7137 176.6179 84 G 3.3861 8.5451 109.2514 48.9057 0.0000 175.6585 85 H 3.6151 7.0468 116.4781 58.2416 28.5109 177.4962 86 A 3.6823 6.8492 122.9051 54.8738 18.2308 179.1962 87 H 4.2526 7.6755 115.5625 58.3962 28.8938 178.1652 88 V 3.5406 7.6708 119.8926 66.1694 31.4723 177.9534 89 I 3.6127 7.6522 118.2990 64.0950 37.6493 178.0225 90 S 4.1938 7.9332 115.9462 61.3905 62.3785 176.5382 91 A 3.9866 7.8515 122.8556 55.0537 18.1885 179.5190 92 I 3.8204 7.4240 117.1172 64.6556 37.3077 178.5013 93 I 3.8802 7.5882 119.4155 63.4052 37.1815 177.0828 94 G 4.1099 7.8619 106.9373 44.8189 0.0000 173.3336 95 N 5.0574 8.7397 117.0643 52.4689 38.6356 174.0250 96 S 5.6373 7.6200 112.2850 58.3229 66.2441 173.3330 97 R 4.7707 8.3908 117.6643 55.0701 34.5734 174.3925 98 V 4.7860 8.3275 114.6108 59.8227 34.2106 175.5328 99 V 4.5242 8.5560 123.5514 60.4107 34.7233 173.2142 100 P 4.9078 0.0000 0.0000 62.8424 33.1899 174.9034 101 I 5.0087 8.6759 121.9396 59.6620 40.3819 174.5944 102 I 4.6475 8.6091 126.1750 60.0852 41.7626 174.6751 103 E 3.8626 9.7607 127.1096 57.5402 26.7912 175.5914 104 G 3.9653 8.7117 105.4518 45.5233 0.0000 174.2701 105 K 4.6799 7.7376 118.6126 53.6979 35.4315 175.5732 106 L 4.3243 8.3298 121.2068 55.1796 41.8804 177.6794 107 D 4.6052 8.8007 125.1182 52.6681 39.7044 174.7173 108 L 4.8532 7.7592 122.9105 52.0028 44.4429 176.8698 109 G 3.8511 9.1148 111.5563 45.0667 0.0000 174.8027 110 T 3.4222 8.3081 115.9566 66.2064 68.3543 175.5197 111 W 4.9385 7.7309 117.7518 56.4926 29.5638 175.0901 112 Q 4.8873 7.7782 118.9010 55.5427 29.0274 175.6767 113 R 4.7913 9.0992 121.8204 54.5097 35.3278 174.1227 114 I 4.5501 8.5965 122.6511 60.4645 38.8347 174.9425 115 I 4.9526 8.7239 128.1064 59.3217 40.6194 174.2163 116 L 4.9343 9.0066 129.1831 53.7262 43.8802 174.8375 117 L 4.8419 8.9126 126.7362 52.9012 44.1699 174.8067 118 E 4.4832 8.8202 125.4240 54.3883 31.5385 175.8190 119 F 4.2460 8.0557 121.5880 56.2342 41.0666 174.6771 120 D 4.5925 8.5618 119.7415 53.5020 41.0611 175.1292 121 G 4.5242 8.3840 106.6383 43.5298 0.0000 171.7300 122 P 4.9479 0.0000 0.0000 62.9664 32.3640 175.9174 123 R 4.5931 8.7640 119.7200 55.6991 35.5063 173.9868 124 T 4.7719 8.3767 117.8170 62.8116 69.3384 174.5960 125 R 4.6033 9.1126 126.5536 54.8259 32.7327 175.4764 126 T 4.8462 8.7462 119.0273 61.8542 70.8450 173.9099 127 V 4.2016 8.4032 126.0536 60.8043 34.1975 173.7263 128 L 4.8795 9.0639 130.5647 53.4122 44.2734 174.9800 129 V 4.6781 9.0427 126.8656 61.2612 33.6894 174.2526 130 K 4.9174 8.9559 131.1315 55.2571 33.9511 175.3155 131 S 5.7682 8.4750 124.7849 56.0289 66.1701 173.2125 *133 G 3.9463 8.2390 107.4474 45.8814 0.0000 172.7974 134 E 4.2542 8.7614 118.9110 56.4147 29.6805 175.9229 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 K 8.31 4.25 0.00 1.73 1.95 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 3 I 8.20 4.55 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 1.42 0.91 0.92 0.00 0.00 4 I 9.63 4.59 1.89 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 1.24 0.99 0.98 0.00 0.00 5 S 8.63 5.12 0.00 3.69 3.74 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 6 K 9.15 4.74 0.00 1.72 1.70 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 7 E 8.91 5.29 0.00 1.79 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 2.12 2.23 0.00 8 F 8.39 5.20 0.00 3.08 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.71 5.22 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 1.22 0.00 0.00 10 V 8.77 4.60 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 0.89 0.00 0.00 0.98 0.00 0.00 11 K 8.67 4.94 0.00 1.77 1.72 0.00 1.78 0.00 0.00 1.91 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 12 T 8.96 4.42 4.18 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 1.20 0.00 0.00 13 R 9.32 4.37 0.00 1.77 2.00 0.00 3.20 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 14 S 7.34 4.53 0.00 3.84 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 15 R 8.73 4.51 0.00 1.99 2.08 0.00 3.36 0.00 0.00 3.58 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.44 0.00 16 F 8.18 5.13 0.00 3.00 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 17 D 8.74 4.94 0.00 2.76 2.39 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 18 S 8.53 5.15 0.00 3.96 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 19 I 8.71 4.60 1.89 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 1.13 0.72 0.94 0.00 0.00 20 D 8.97 5.00 0.00 2.74 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 21 I 8.59 4.75 2.10 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 1.06 0.00 0.00 22 T 8.38 3.86 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 23 E 7.99 3.98 0.00 1.89 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 2.37 2.18 0.00 24 Q 7.70 3.63 0.00 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 25 V 7.70 3.74 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 1.11 0.00 0.00 1.22 0.00 0.00 26 S 8.29 4.13 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.02 4.04 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 28 A 7.87 4.17 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.54 4.08 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 1.81 0.76 0.98 0.00 0.00 30 K 7.18 4.03 0.00 1.80 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.25 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.58 7.81 31 G 8.60 3.77 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 0.00 0.00 0.00 32 I 7.93 4.40 1.98 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 1.19 1.45 0.97 0.00 0.00 33 N 9.24 4.49 0.00 2.66 2.94 0.00 0.00 6.23 6.74 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 34 N 8.14 5.41 0.00 2.72 2.58 0.00 0.00 6.97 7.90 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 35 G 7.51 4.30 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 0.00 0.00 0.00 36 I 7.66 5.00 1.84 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 1.26 1.25 0.69 0.00 0.00 37 A 8.99 4.89 1.22 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 0.00 0.00 38 H 9.15 4.83 0.00 3.19 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.70 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 40 I 9.14 5.16 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.87 0.00 0.00 41 V 8.38 4.51 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 0.70 0.00 0.00 1.01 0.00 0.00 42 K 8.34 4.38 0.00 1.59 1.73 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 43 H 7.84 4.92 0.00 3.12 3.15 0.00 5.65 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 44 T 8.32 4.53 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 1.23 0.00 0.00 45 T 7.79 4.91 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 0.81 0.00 0.00 46 C 8.10 5.17 0.00 2.99 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 47 A 9.10 4.91 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 48 I 8.08 5.09 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 1.28 0.99 0.91 0.00 0.00 49 I 8.61 4.70 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 1.17 0.63 0.82 0.00 0.00 50 I 8.07 4.72 1.87 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 1.22 0.95 0.93 0.00 0.00 51 N 8.52 4.79 0.00 2.65 2.70 0.00 0.00 6.45 7.78 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 52 E 9.34 5.24 0.00 2.11 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 2.44 2.46 0.00 53 A 8.45 4.74 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 54 E 8.10 4.12 0.00 2.07 1.80 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 2.26 2.15 0.00 55 S 9.05 4.27 0.00 3.87 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 56 G 8.59 3.70 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 0.00 57 L 7.82 4.34 0.00 1.75 1.58 0.62 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 *59 K 8.23 4.29 0.00 2.07 1.88 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.62 7.81 60 D 8.11 4.53 0.00 2.55 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 61 F 7.85 4.66 0.00 3.21 3.18 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 62 L 8.13 4.35 0.00 1.94 1.92 1.03 0.92 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 63 N 8.55 4.17 0.00 2.67 2.64 0.00 0.00 7.11 8.14 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 64 W 8.93 3.86 0.00 3.64 3.42 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 65 A 8.20 4.12 1.66 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 0.00 0.00 66 K 8.32 3.93 0.00 1.74 1.65 0.00 1.15 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.75 0.91 7.81 67 K 7.55 3.88 0.00 1.69 1.61 0.00 0.61 0.00 0.00 0.68 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.04 1.18 7.81 68 L 8.09 4.39 0.00 1.81 1.80 1.08 1.14 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 69 V 7.70 4.43 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 1.11 0.00 0.00 0.99 0.00 0.00 70 P 0.00 4.58 0.00 2.25 2.00 0.00 3.98 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 71 P 0.00 4.43 0.00 2.08 1.98 0.00 3.68 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 2.11 2.34 0.00 72 D 8.12 4.69 0.00 2.68 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 73 G 8.27 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 74 E 7.95 4.12 0.00 1.81 1.66 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 2.15 2.26 0.00 75 F 8.41 4.89 0.00 3.24 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 76 E 9.03 4.10 0.00 2.07 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 2.40 0.00 77 H 8.40 4.23 0.00 3.26 3.36 0.00 5.87 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 7.81 5.30 0.00 3.05 2.93 0.00 0.00 7.00 7.38 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 79 I 7.46 3.91 1.97 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 0.55 0.91 0.00 0.00 80 I 7.71 4.15 1.81 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 1.38 0.50 0.88 0.00 0.00 81 D 6.98 4.66 0.00 2.63 2.39 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 82 N 8.55 5.12 0.00 2.91 2.90 0.00 0.00 5.88 8.04 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 83 N 7.91 5.05 0.00 2.70 3.06 0.00 0.00 5.98 7.01 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 84 G 8.55 3.39 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 85 H 7.05 3.62 0.00 3.56 3.33 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 6.85 3.68 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 87 H 7.68 4.25 0.00 3.24 3.23 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.67 3.54 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 1.07 0.00 0.00 1.07 0.00 0.00 89 I 7.65 3.61 1.64 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 1.13 0.70 0.02 0.00 0.00 90 S 7.93 4.19 0.00 4.21 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 91 A 7.85 3.99 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 92 I 7.42 3.82 2.00 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 1.53 0.72 0.92 0.00 0.00 93 I 7.59 3.88 1.93 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.95 0.00 0.00 94 G 7.86 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 95 N 8.74 5.06 0.00 2.91 3.05 0.00 0.00 5.57 7.64 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 96 S 7.62 5.64 0.00 3.94 3.83 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 0.00 0.00 0.00 97 R 8.39 4.77 0.00 1.70 1.80 0.00 3.25 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 98 V 8.33 4.79 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 0.63 0.00 0.00 0.92 0.00 0.00 99 V 8.56 4.52 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 1.08 0.00 0.00 0.94 0.00 0.00 100 P 0.00 4.91 0.00 2.14 2.14 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.99 0.00 101 I 8.68 5.01 1.94 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 1.11 0.72 1.02 0.00 0.00 102 I 8.61 4.65 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 1.22 1.45 0.90 0.00 0.00 103 E 9.76 3.86 0.00 2.14 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 2.20 2.22 0.00 104 G 8.71 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 0.00 105 K 7.74 4.68 0.00 1.77 1.65 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.54 7.81 106 L 8.33 4.32 0.00 1.62 1.61 0.95 1.01 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 0.00 107 D 8.80 4.61 0.00 2.56 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 7.76 4.85 0.00 1.63 1.54 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.11 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 0.00 110 T 8.31 3.42 3.43 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 -0.14 0.00 0.00 111 W 7.73 4.94 0.00 3.44 3.18 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 0.00 112 Q 7.78 4.89 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 113 R 9.10 4.79 0.00 1.84 1.95 0.00 3.31 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 114 I 8.60 4.55 1.91 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 1.25 0.77 0.96 0.00 0.00 115 I 8.72 4.95 1.78 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.91 0.00 0.00 116 L 9.01 4.93 0.00 1.74 1.53 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.91 4.84 0.00 1.44 1.06 1.04 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.82 4.48 0.00 1.82 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 2.08 2.30 0.00 119 F 8.06 4.25 0.00 2.88 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 0.00 120 D 8.56 4.59 0.00 2.45 2.43 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 0.00 121 G 8.38 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 0.00 0.00 0.00 0.00 122 P 0.00 4.95 0.00 2.07 2.05 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 123 R 8.76 4.59 0.00 1.82 1.73 0.00 3.03 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 124 T 8.38 4.77 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 0.00 125 R 9.11 4.60 0.00 1.63 1.76 0.00 2.79 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 126 T 8.75 4.85 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 1.15 0.00 0.00 127 V 8.40 4.20 0.67 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 0.66 0.00 0.00 0.71 0.00 0.00 128 L 9.06 4.88 0.00 1.67 1.55 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.04 4.68 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 0.94 0.00 0.00 1.12 0.00 0.00 130 K 8.96 4.92 0.00 1.91 1.68 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.44 7.81 131 S 8.48 5.77 0.00 3.77 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 *133 G 8.24 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 0.00 134 E 8.76 4.25 0.00 2.12 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 2.18 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.