NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2713 8.3449 121.7114 55.8132 30.3632 174.5159 5 T 4.2228 8.3542 121.8443 62.7329 69.8387 171.5575 6 K 5.0895 10.7800 129.3754 54.7596 35.4733 174.3474 7 I 5.1498 8.9217 128.1374 59.5022 40.6344 174.2346 8 L 4.7366 8.2114 127.5666 53.2803 44.5750 175.2065 9 I 4.7336 8.5673 126.6540 59.8095 39.4853 174.7647 10 I 4.4289 8.4568 130.2165 60.3304 38.3800 174.8571 11 D 4.4551 8.5656 123.9942 53.3761 44.0776 176.3215 12 G 3.6277 9.1043 115.2609 48.2059 0.0000 173.4307 13 D 4.4389 8.6448 120.2159 53.8677 41.6778 176.8820 14 K 4.0853 8.5137 127.8650 59.0751 32.2015 179.1113 15 D 4.3052 8.1642 119.0718 57.3785 40.8142 178.0376 16 N 4.2583 8.5816 117.4555 56.8939 38.9554 176.4698 17 C 4.0537 8.2514 118.3279 62.9684 28.1781 176.0985 18 Q 3.9163 8.5874 121.3309 58.9196 28.7011 177.6754 19 K 3.8118 8.3843 121.1839 59.6647 32.1283 178.3729 20 L 3.8732 8.0094 120.3501 58.0034 42.0141 178.6420 21 K 4.0185 8.1171 119.7984 59.4987 31.9306 179.0122 22 G 3.5366 8.3780 106.1159 47.6281 0.0000 175.4079 23 F 4.0300 8.1339 123.3902 61.1268 39.3961 177.2930 24 L 3.9427 8.5085 118.3959 57.0134 41.3030 179.0818 25 E 4.3195 8.3286 121.6109 58.2947 29.4300 177.8708 26 E 4.0696 7.5841 115.4635 57.6290 29.8571 177.8844 27 K 4.1695 6.8571 115.5497 55.9504 32.3518 176.8214 28 G 3.8462 8.1055 107.7994 45.8163 0.0000 173.1674 29 I 4.5771 7.3532 120.0230 59.3906 39.6605 174.8577 30 S 4.5689 9.0115 122.0277 57.6871 63.4346 172.7179 31 I 5.2164 8.4590 127.5319 59.6645 39.7946 174.6169 32 D 5.1325 8.9185 125.2440 52.5329 44.2156 175.0688 33 L 5.1467 8.3955 120.5300 53.0239 45.1544 175.7919 34 A 4.3420 8.1310 122.1092 50.9151 22.1678 176.5857 35 Y 4.8350 8.6851 119.3713 58.5964 38.9809 175.0940 36 N 4.7944 7.6099 116.8699 50.7162 41.1805 174.6484 37 C 3.8821 8.6352 117.8351 63.1300 28.0801 176.0647 38 E 3.8280 9.5736 121.4595 59.4036 29.2451 178.4142 39 E 3.8579 8.7561 118.6097 59.4375 29.5494 179.2356 40 A 3.8193 7.9948 120.4386 55.4704 18.2880 179.7915 41 I 3.4940 7.6891 116.9255 64.2228 37.1744 178.6532 42 G 3.5035 7.7098 106.7827 47.3029 0.0000 175.6965 43 K 4.2809 7.8217 119.5800 58.1290 32.1399 178.6525 44 I 4.2644 7.5595 118.5504 62.6566 37.0553 176.8896 45 F 4.9525 7.8840 117.8626 59.4591 40.2172 177.2343 46 S 4.3098 7.8688 113.2830 60.8722 62.8172 173.3666 47 N 4.8551 8.1957 115.6220 51.3923 42.3726 173.7111 48 K 4.3509 7.8499 117.1117 55.1302 33.9829 176.0194 49 Y 4.7197 8.3627 121.3623 57.1584 39.3751 175.5996 50 D 4.7189 9.4234 122.6977 56.3929 42.0528 176.9687 51 L 4.8015 7.7598 118.2972 53.5288 46.2477 174.7912 52 I 4.7785 8.6914 125.2246 59.5407 40.7118 174.2937 53 F 4.9402 8.9646 126.7371 56.1802 40.6108 174.7570 54 L 4.8309 8.6547 125.5802 53.1108 44.7359 175.1644 55 E 4.6257 8.2433 125.7551 55.2322 31.7948 176.9333 56 I 3.5547 8.1340 123.0927 63.4434 37.7509 176.2777 57 I 4.3719 7.5650 120.1147 60.0995 37.8798 175.1985 58 L 4.8782 8.0905 123.6387 52.6818 45.4542 177.7733 59 S 4.2404 8.6844 115.2455 60.3028 63.2766 174.4498 60 D 4.5633 8.5967 119.4564 53.4292 41.5851 176.0250 61 G 3.9437 6.5905 105.3980 45.0632 0.0000 170.4681 62 D 5.0944 7.9061 118.9788 51.9767 42.6024 177.5366 63 G 3.6667 8.8500 110.1471 47.1521 0.0000 176.2146 64 W 4.5868 8.1760 120.7645 59.9855 28.9605 178.3994 65 T 4.1452 8.2464 115.2819 66.2625 68.2135 176.8418 66 L 3.9854 7.9377 121.6330 57.6025 41.8724 178.6930 67 C 4.0640 8.1753 118.9818 62.5750 31.4928 175.4038 68 K 3.9863 7.6082 117.9805 59.3894 31.8146 179.0161 69 K 4.1015 8.4847 120.1421 59.7072 32.1673 178.7697 70 I 3.7769 7.8522 119.9891 64.6008 36.8859 178.0636 71 R 4.4707 8.0872 117.2938 57.2475 29.8091 177.6251 72 N 4.6525 8.3083 117.1747 55.1945 39.0896 175.2838 73 V 3.7702 8.1969 120.1915 62.8331 32.0680 176.0245 74 T 4.5148 7.7236 111.9985 61.1230 69.5453 175.1190 75 T 4.5416 8.1557 112.6900 61.0414 69.2659 173.7641 76 C 3.8808 8.5948 123.1869 59.7699 32.2204 171.8596 77 P 4.5497 0.0000 0.0000 63.6815 32.2010 174.8728 78 I 4.7603 9.2624 125.8665 59.3693 39.8642 174.6943 79 V 4.7016 8.4063 127.4955 61.4392 34.1412 175.3458 80 Y 5.3725 8.7389 126.4687 57.1326 40.6025 174.3233 *82 T 4.2211 8.3122 113.0103 62.9717 68.3872 175.5974 83 Y 3.9606 8.7194 122.7165 60.2801 38.3835 176.0789 84 I 3.8263 7.8937 120.7553 62.1178 37.1630 175.8125 85 N 5.1240 8.7018 127.0962 53.0274 39.7365 173.8270 86 E 4.5823 8.0356 116.2109 54.7767 31.5842 176.7835 87 D 4.2980 8.9307 123.9684 58.0520 40.8617 179.3694 88 Q 3.8881 8.1116 117.4788 59.0607 28.5742 179.0895 89 S 4.3923 7.9602 113.8542 61.5246 62.4611 176.2844 90 I 2.8827 7.3534 121.9454 63.9884 36.7452 178.1949 91 L 3.9061 7.9785 119.9817 57.8550 41.4421 179.2876 92 N 4.1417 8.3957 116.4500 56.1534 38.4892 177.1916 93 A 4.0766 8.5319 122.3894 55.3140 18.5009 179.7289 94 L 4.2075 8.2047 117.7497 58.0067 41.5541 178.9716 95 N 4.6947 8.4117 113.7127 54.4829 38.5761 176.2624 96 S 4.7789 7.3130 114.7181 57.9304 63.5476 174.5075 97 G 4.1574 8.0468 109.7141 45.0102 0.0000 174.8488 98 G 4.0737 7.9689 108.5429 45.9695 0.0000 173.2381 99 D 4.8704 9.3088 121.1592 55.2817 43.0210 175.6895 100 D 4.8039 7.8952 115.8730 53.6118 45.4726 173.5474 101 Y 5.0660 8.4848 121.6814 56.4851 41.1404 173.6468 102 L 4.9430 9.0368 127.2428 53.0953 44.4506 176.0509 103 I 4.6066 8.2150 122.5520 60.0115 38.6526 175.6903 104 K 4.2021 8.0319 125.8844 54.4964 33.2162 175.2887 105 P 4.0730 0.0000 0.0000 62.1310 31.8249 176.6969 106 L 3.7223 8.2239 122.9370 55.2294 42.1828 177.0407 107 N 4.5591 8.3810 121.2150 52.0561 39.3740 175.4689 108 L 3.3709 7.9881 129.1072 57.6224 41.6836 179.2536 109 E 4.1642 7.9990 117.8669 59.5916 29.4715 179.4046 110 I 3.7599 8.2956 119.9394 64.2074 37.1958 178.0793 111 L 4.0257 7.9320 121.2510 58.4999 41.7841 178.5115 112 Y 4.4536 8.5217 119.3404 60.6634 38.7072 177.5398 113 A 3.8693 8.1684 121.7776 55.3705 18.4474 179.8742 114 K 3.9430 8.2919 116.8023 59.2135 32.0546 179.9699 115 V 3.5738 7.8445 118.7166 66.0347 31.5517 178.0739 116 K 3.7703 8.0232 118.3726 59.3887 31.8497 179.1028 117 A 3.9405 8.1940 121.0784 55.1882 18.1172 179.7319 118 I 3.6223 7.6012 116.8446 64.5268 37.3042 178.2932 119 L 4.1123 8.1336 118.5563 57.7722 41.7669 179.0954 120 R 4.0799 8.2632 118.9466 59.5228 29.7076 179.6907 121 R 3.6931 7.5382 114.5139 56.9915 30.3869 176.6679 *123 N 4.7258 8.0405 112.4746 52.3276 40.5209 174.7275 124 S 4.1738 8.1303 119.9507 58.8739 64.1852 173.7020 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 4 Q 8.34 4.27 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 5 T 8.35 4.22 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 1.34 0.00 0.00 6 K 10.78 5.09 0.00 1.73 1.58 0.00 1.48 0.00 0.00 1.32 0.00 0.00 2.70 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.57 7.81 7 I 8.92 5.15 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 1.14 0.00 0.00 8 L 8.21 4.74 0.00 0.27 0.59 0.67 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.57 4.73 1.82 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 1.29 0.94 0.86 0.00 0.00 10 I 8.46 4.43 1.75 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 0.95 0.78 0.82 0.00 0.00 11 D 8.57 4.46 0.00 2.61 2.49 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 12 G 9.10 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 0.00 0.00 0.00 13 D 8.64 4.44 0.00 2.74 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 14 K 8.51 4.09 0.00 1.73 1.77 0.00 1.43 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.88 1.33 7.81 15 D 8.16 4.31 0.00 2.84 2.71 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 0.00 0.00 0.00 0.00 16 N 8.58 4.26 0.00 2.89 2.95 0.00 0.00 7.29 7.17 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 17 C 8.25 4.05 0.00 3.29 3.07 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 0.00 0.00 0.00 18 Q 8.59 3.92 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 19 K 8.38 3.81 0.00 1.91 1.90 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.45 7.81 20 L 8.01 3.87 0.00 1.83 1.54 0.32 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.12 4.02 0.00 1.96 2.03 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.48 7.81 22 G 8.38 3.54 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 23 F 8.13 4.03 0.00 3.14 3.17 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 24 L 8.51 3.94 0.00 1.81 1.77 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.33 4.32 0.00 2.34 1.89 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 2.29 2.38 0.00 26 E 7.58 4.07 0.00 1.97 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 2.06 2.20 0.00 27 K 6.86 4.17 0.00 1.65 1.56 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.22 7.81 28 G 8.11 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 29 I 7.35 4.58 2.09 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.81 1.07 0.00 0.00 30 S 9.01 4.57 0.00 4.10 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.46 5.22 1.90 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 1.42 1.00 0.93 0.00 0.00 32 D 8.92 5.13 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.40 5.15 0.00 1.10 1.11 0.94 0.66 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 34 A 8.13 4.34 1.05 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 0.00 0.00 35 Y 8.69 4.84 0.00 3.18 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 36 N 7.61 4.79 0.00 3.09 2.92 0.00 0.00 6.22 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 37 C 8.64 3.88 0.00 3.10 3.02 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 38 E 9.57 3.83 0.00 2.09 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 2.27 2.33 0.00 39 E 8.76 3.86 0.00 2.10 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 2.32 2.48 0.00 40 A 7.99 3.82 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 41 I 7.69 3.49 1.62 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 1.33 0.76 0.43 0.00 0.00 42 G 7.71 3.50 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 43 K 7.82 4.28 0.00 1.82 2.04 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.62 7.81 44 I 7.56 4.26 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 1.72 0.69 1.08 0.00 0.00 45 F 7.88 4.95 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.31 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.20 4.86 0.00 1.82 2.07 0.00 0.00 6.77 7.23 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 48 K 7.85 4.35 0.00 1.59 1.66 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 49 Y 8.36 4.72 0.00 2.94 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 50 D 9.42 4.72 0.00 2.54 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 51 L 7.76 4.80 0.00 1.66 1.41 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.69 4.78 1.70 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 0.96 0.44 0.71 0.00 0.00 53 F 8.96 4.94 0.00 2.98 2.86 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 L 8.65 4.83 0.00 1.36 0.80 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.24 4.63 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 2.25 2.41 0.00 56 I 8.13 3.55 1.61 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.52 -0.09 0.00 0.00 57 I 7.57 4.37 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.32 0.91 0.00 0.00 58 L 8.09 4.88 0.00 1.94 1.48 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.68 4.24 0.00 3.98 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 60 D 8.60 4.56 0.00 2.67 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 G 6.59 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 0.00 0.00 0.00 62 D 7.91 5.09 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 63 G 8.85 3.67 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 0.00 0.00 0.00 64 W 8.18 4.59 0.00 3.81 3.13 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 65 T 8.25 4.15 4.45 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 1.27 0.00 0.00 66 L 7.94 3.99 0.00 1.79 1.79 0.88 0.66 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 67 C 8.18 4.06 0.00 3.33 3.27 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 68 K 7.61 3.99 0.00 1.95 1.93 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.86 7.81 69 K 8.48 4.10 0.00 2.06 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 70 I 7.85 3.78 2.05 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.64 0.92 0.00 0.00 71 R 8.09 4.47 0.00 2.03 2.02 0.00 3.31 0.00 0.00 3.29 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 72 N 8.31 4.65 0.00 2.94 2.91 0.00 0.00 6.82 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 73 V 8.20 3.77 2.28 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 0.82 0.00 0.00 1.16 0.00 0.00 74 T 7.72 4.51 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 1.27 0.00 0.00 75 T 8.16 4.54 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 1.23 0.00 0.00 76 C 8.59 3.88 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 77 P 0.00 4.55 0.00 2.03 1.95 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 78 I 9.26 4.76 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.18 0.60 0.00 0.00 79 V 8.41 4.70 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 1.18 0.00 0.00 0.76 0.00 0.00 80 Y 8.74 5.37 0.00 2.59 2.38 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 *82 T 8.31 4.22 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 0.90 0.00 0.00 83 Y 8.72 3.96 0.00 3.01 3.02 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 84 I 7.89 3.83 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 1.09 0.00 0.00 85 N 8.70 5.12 0.00 2.87 2.81 0.00 0.00 7.20 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 86 E 8.04 4.58 0.00 2.19 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 2.39 2.40 0.00 87 D 8.93 4.30 0.00 2.64 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 88 Q 8.11 3.89 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 89 S 7.96 4.39 0.00 4.25 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 0.00 90 I 7.35 2.88 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.26 0.62 0.00 0.00 91 L 7.98 3.91 0.00 1.74 1.64 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.40 4.14 0.00 2.66 1.95 0.00 0.00 6.96 7.09 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 93 A 8.53 4.08 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.20 4.21 0.00 1.67 1.75 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.41 4.69 0.00 2.75 2.86 0.00 0.00 7.00 7.16 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 96 S 7.31 4.78 0.00 4.29 4.07 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 0.00 0.00 0.00 97 G 8.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.97 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.31 4.87 0.00 2.67 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 0.00 100 D 7.90 4.80 0.00 2.72 2.54 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 0.00 101 Y 8.48 5.07 0.00 2.96 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 0.00 102 L 9.04 4.94 0.00 1.49 1.54 1.07 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.21 4.61 1.89 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.52 0.89 0.00 0.00 104 K 8.03 4.20 0.00 0.79 0.74 0.00 1.43 0.00 0.00 1.41 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.11 1.14 7.81 105 P 0.00 4.07 0.00 1.99 1.97 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 2.08 2.24 0.00 106 L 8.22 3.72 0.00 1.44 1.41 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.38 4.56 0.00 2.69 2.66 0.00 0.00 7.21 6.66 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 0.00 108 L 7.99 3.37 0.00 1.08 0.13 0.64 0.46 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 0.00 109 E 8.00 4.16 0.00 2.00 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 2.42 0.00 110 I 8.30 3.76 1.94 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 1.43 0.79 0.93 0.00 0.00 111 L 7.93 4.03 0.00 1.76 1.86 0.46 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.52 4.45 0.00 3.65 3.35 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 0.00 113 A 8.17 3.87 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 0.00 114 K 8.29 3.94 0.00 2.13 1.92 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.47 7.81 115 V 7.84 3.57 2.32 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 0.97 0.00 0.00 1.34 0.00 0.00 116 K 8.02 3.77 0.00 1.71 1.69 0.00 1.56 0.00 0.00 1.35 0.00 0.00 2.27 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 0.59 7.81 117 A 8.19 3.94 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 0.00 118 I 7.60 3.62 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.88 0.00 0.00 119 L 8.13 4.11 0.00 1.54 1.74 0.96 0.92 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 0.00 120 R 8.26 4.08 0.00 1.95 2.12 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 121 R 7.54 3.69 0.00 1.93 2.12 0.00 3.34 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 1.64 1.68 0.00 *123 N 8.04 4.73 0.00 2.78 2.89 0.00 0.00 6.89 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.13 4.17 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.