NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7665 8.3501 109.7384 45.5325 0.0000 174.7839 *2 A 4.3122 7.9681 121.2041 51.2215 20.1799 175.9229 3 E 4.5444 7.8520 117.5012 53.5017 29.4854 173.1277 4 P 4.6769 0.0000 0.0000 61.7985 33.2954 176.2334 5 K 4.7203 8.6995 120.2083 56.4307 33.6392 175.6683 6 F 5.2451 8.9264 120.7899 56.2366 42.3967 174.7923 7 T 5.1525 8.6783 118.2223 62.1613 72.8601 172.9833 8 S 5.1647 8.7742 121.7617 56.7108 66.3923 173.2809 9 F 5.0896 9.1692 122.0665 56.2687 41.6949 174.1059 10 T 5.1371 8.8200 121.0288 62.3575 70.8320 173.8155 11 T 4.8630 9.4060 123.2039 61.8065 71.1535 173.2350 12 A 4.5001 8.7756 128.2395 49.9866 21.5420 174.6673 13 D 5.1605 8.0779 122.5563 52.4806 44.1281 175.5180 14 F 5.0389 8.5402 119.5710 55.5855 42.4835 175.6275 15 I 3.9490 8.7483 121.1985 63.9686 37.2502 175.6248 16 N 3.3836 7.2985 114.7879 51.4379 39.2493 173.9455 17 D 4.1337 7.5805 118.2579 57.3228 41.6363 177.4758 18 V 3.6725 7.8012 118.2887 66.3118 31.6064 178.7072 19 D 4.5354 9.9526 116.5633 54.9960 40.0284 178.1663 *21 E 4.2978 8.2241 121.4204 56.3932 31.7068 178.1818 22 L 3.9683 8.1809 119.2507 57.6249 41.5260 179.4333 23 F 4.0839 8.1135 120.5431 61.3757 39.3647 177.1501 24 I 3.7693 7.8909 119.0055 64.5417 36.9085 177.7095 25 D 4.4243 8.3550 118.5227 57.2923 41.1429 177.9559 26 A 3.9514 7.9402 121.2543 55.3458 18.1240 179.8674 27 V 3.5546 7.4345 115.3288 66.0925 31.6637 177.8239 28 E 4.1938 8.5462 118.7190 59.5087 29.1224 179.5705 29 K 4.0582 8.6468 117.9203 58.8113 32.4317 178.5429 30 T 4.3940 7.9222 107.8876 61.8466 69.2456 176.3371 31 A 2.5800 7.5837 125.0172 54.6232 18.0439 177.8656 32 P 4.0308 0.0000 0.0000 65.6603 31.2139 178.4339 33 V 3.7970 7.7420 117.7007 65.4365 31.3899 178.1036 34 W 4.5341 7.6497 117.6098 58.7124 28.4456 178.2144 35 V 3.4728 6.7216 118.5191 65.5440 31.1979 177.4286 36 K 3.9983 7.7861 118.8655 59.4987 32.0915 178.5089 37 E 3.6676 7.5116 114.4233 57.1499 28.9112 178.6780 *39 K 4.7424 8.3292 120.8713 56.6139 33.9206 178.2113 40 S 4.1915 7.9796 112.0750 60.3536 62.9605 175.0009 41 R 4.3201 7.4866 117.7340 55.9662 30.3018 176.7306 42 G 4.0766 8.2839 107.3483 44.9417 0.0000 173.3433 43 L 4.4224 8.1069 122.3904 55.3255 42.5378 177.3126 44 L 4.3073 9.3150 127.5155 57.0157 42.7546 177.1826 45 K 4.6153 7.6559 117.1105 55.2602 35.4982 174.1820 46 F 5.3902 8.8730 127.8486 56.9093 42.4247 174.5677 47 S 4.0691 6.7173 117.1518 57.3860 65.9040 172.0493 *49 N 4.5496 8.6909 115.3725 53.7591 40.0388 173.5278 50 R 4.7740 8.7014 124.3072 55.4775 31.4033 175.4765 51 V 4.0696 8.5801 127.5469 61.8221 31.7882 175.5981 52 W 4.7417 8.3551 124.1895 56.3731 29.1840 175.8920 53 N 4.8859 7.6263 115.5714 52.7367 36.8594 174.9917 54 K 4.4475 7.9156 115.8702 56.4162 33.5744 177.6228 55 G 3.8598 7.8692 107.6372 46.7154 0.0000 176.9605 56 E 4.1389 8.4436 120.3266 54.9574 28.1669 175.3417 57 V 4.0945 6.7452 112.3857 59.2877 36.0648 175.9321 58 F 4.8247 8.1715 120.1864 56.3459 41.0877 174.5453 59 R 5.2072 8.4062 123.1461 55.2929 33.6347 173.8994 60 V 5.0152 8.7986 118.7551 59.8685 35.6738 175.2056 61 V 5.2806 8.7302 123.9029 60.4966 34.6054 174.3682 *63 T 4.1486 8.1750 109.2151 61.7780 70.4974 172.3896 64 Y 4.6320 8.6368 122.5586 56.3221 40.7348 174.5325 65 E 4.4725 9.0548 125.7574 55.0640 31.1922 175.1165 66 Y 5.1713 8.8964 123.2255 56.1223 40.2390 177.0764 67 K 4.1340 9.0825 123.8231 59.6143 33.7278 176.1341 68 D 4.8470 7.6618 116.3129 52.1466 41.7727 176.3378 69 R 2.5100 7.9423 117.7038 59.2468 29.7675 178.1322 70 A 3.8772 7.7312 119.9016 55.2016 18.3691 179.6964 71 S 4.1482 8.5368 113.9553 61.4414 62.8789 176.3782 72 F 2.7826 7.9293 123.3469 61.1350 39.0424 177.0555 73 E 3.3063 8.0177 117.7376 59.1952 29.2325 179.3206 74 A 3.9513 7.8534 120.7011 55.0185 18.2811 179.5378 75 N 4.3848 7.8985 115.1958 56.4633 38.5843 177.6331 76 I 3.4462 7.3639 121.0862 64.1143 37.0990 178.2443 77 A 3.8682 7.7967 121.4775 55.3224 18.3369 179.0045 78 Y 4.0357 7.9703 117.9012 60.8892 38.9422 178.4142 79 L 3.6756 8.1060 120.0100 57.7280 41.2485 179.3611 80 E 3.8634 8.2814 118.8369 59.1004 29.4783 178.7896 81 D 4.2838 7.9695 118.1016 58.5219 41.2567 177.6353 82 T 4.1288 7.9232 119.4674 66.3785 67.9866 177.4117 *83 F 4.1319 7.8763 127.9209 61.6684 38.5936 179.9527 84 G 3.9831 7.9053 107.6725 47.6671 0.0000 175.1889 85 K 4.5073 7.1403 118.6044 53.8447 32.2794 178.5982 86 N 5.0352 8.3572 118.3161 51.5256 38.4216 170.8391 87 P 4.8632 0.0000 0.0000 62.3430 34.6608 176.6613 88 V 3.3066 8.9748 122.7117 62.4480 30.0079 172.6590 *89 F 4.1019 5.4600 121.2440 62.7529 38.2712 178.9787 90 L 4.1646 7.8618 117.7512 57.8917 41.5765 178.7204 91 Q 4.2137 8.2995 119.7246 59.9981 29.1515 178.8093 92 L 4.3126 7.6850 122.2372 59.7824 41.1884 181.2428 93 V 4.4193 7.7992 109.5761 62.6752 31.0175 178.0175 94 T 3.9661 8.0927 114.5280 64.2279 67.2928 174.8013 95 T 4.3063 7.8621 112.8391 62.4087 68.9293 174.2710 96 A 3.9386 7.1851 120.0982 51.8221 19.2209 176.9538 97 K 4.4836 7.9739 118.7209 54.4555 35.1283 175.4963 98 F 5.2806 8.8232 122.7046 55.8183 42.5183 174.6429 99 T 4.7921 9.2425 112.4067 60.4043 72.1394 172.6649 100 T 5.1924 8.7517 121.1907 61.9094 71.5512 173.5772 101 S 4.7573 9.3629 122.6649 57.1064 64.9186 173.2243 102 R 4.7477 8.5897 124.4007 55.0843 31.4188 175.8404 103 C 4.8408 8.9354 120.3711 57.9508 32.9660 172.7359 104 L 4.6249 7.9449 119.7043 52.8653 43.5503 176.5421 105 V 3.8384 8.2707 123.4757 62.7619 31.3180 176.3522 106 V 3.7321 8.5437 127.9385 64.4293 32.0430 175.5196 *108 E 4.2163 7.8398 116.4195 56.3917 30.5181 175.9525 109 V 4.0050 8.0597 118.8280 62.3541 31.0897 173.8419 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 0 G 8.35 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 *2 A 7.97 4.31 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 3 E 7.85 4.54 0.00 1.91 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 2.20 2.35 0.00 4 P 0.00 4.68 0.00 2.23 2.21 0.00 3.88 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 2.32 2.08 0.00 5 K 8.70 4.72 0.00 1.82 2.00 0.00 1.94 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.82 1.41 7.81 6 F 8.93 5.25 0.00 3.00 2.97 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 7 T 8.68 5.15 4.10 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 0.00 0.00 0.00 0.59 0.00 0.00 8 S 8.77 5.16 0.00 4.05 3.89 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 9 F 9.17 5.09 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.82 5.14 4.60 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 1.50 0.00 0.00 11 T 9.41 4.86 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 1.16 0.00 0.00 12 A 8.78 4.50 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.08 5.16 0.00 2.34 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 0.00 0.00 0.00 0.00 14 F 8.54 5.04 0.00 2.94 2.88 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 15 I 8.75 3.95 2.07 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 1.49 0.48 0.91 0.00 0.00 16 N 7.30 3.38 0.00 2.41 2.54 0.00 0.00 5.98 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.58 4.13 0.00 2.40 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.80 3.67 2.13 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 0.97 0.00 0.00 0.87 0.00 0.00 19 D 9.95 4.54 0.00 2.98 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 *21 E 8.22 4.30 0.00 1.98 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 2.28 0.00 22 L 8.18 3.97 0.00 1.87 1.76 0.92 0.79 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 23 F 8.11 4.08 0.00 3.10 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 24 I 7.89 3.77 1.92 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 1.64 0.62 1.03 0.00 0.00 25 D 8.36 4.42 0.00 2.88 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 26 A 7.94 3.95 1.31 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 0.00 0.00 0.00 27 V 7.43 3.55 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 1.06 0.00 0.00 0.23 0.00 0.00 28 E 8.55 4.19 0.00 2.26 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 2.41 2.58 0.00 29 K 8.65 4.06 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.59 7.81 30 T 7.92 4.39 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 1.31 0.00 0.00 31 A 7.58 2.58 0.96 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 0.00 0.00 32 P 0.00 4.03 0.00 1.96 2.05 0.00 3.61 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 33 V 7.74 3.80 2.31 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 1.17 0.00 0.00 0.95 0.00 0.00 34 W 7.65 4.53 0.00 3.74 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 35 V 6.72 3.47 1.67 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 0.61 0.00 0.00 -0.49 0.00 0.00 36 K 7.79 4.00 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.48 7.81 37 E 7.51 3.67 0.00 1.74 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 *39 K 8.33 4.74 0.00 1.82 1.90 0.00 1.92 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.57 7.81 40 S 7.98 4.19 0.00 3.95 4.05 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 41 R 7.49 4.32 0.00 2.02 1.96 0.00 2.97 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 42 G 8.28 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 43 L 8.11 4.42 0.00 1.96 1.77 0.98 0.91 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 44 L 9.31 4.31 0.00 1.67 1.73 0.98 0.84 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 45 K 7.66 4.62 0.00 1.81 1.58 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.44 7.81 46 F 8.87 5.39 0.00 3.12 2.97 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 47 S 6.72 4.07 0.00 3.74 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 *49 N 8.69 4.55 0.00 2.79 2.86 0.00 0.00 6.47 7.66 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 50 R 8.70 4.77 0.00 1.91 1.96 0.00 3.57 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 51 V 8.58 4.07 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 0.67 0.00 0.00 0.88 0.00 0.00 52 W 8.36 4.74 0.00 3.44 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 53 N 7.63 4.89 0.00 2.61 2.09 0.00 0.00 5.93 7.13 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 54 K 7.92 4.45 0.00 1.64 1.73 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.20 1.23 7.81 55 G 7.87 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 56 E 8.44 4.14 0.00 1.88 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 2.21 2.27 0.00 57 V 6.75 4.09 1.97 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 0.71 0.00 0.00 0.81 0.00 0.00 58 F 8.17 4.82 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.41 5.21 0.00 1.84 1.71 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 60 V 8.80 5.02 2.25 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 0.91 0.00 0.00 1.23 0.00 0.00 61 V 8.73 5.28 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 1.10 0.00 0.00 0.93 0.00 0.00 *63 T 8.17 4.15 4.05 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 1.34 0.00 0.00 64 Y 8.64 4.63 0.00 2.88 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.05 4.47 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 66 Y 8.90 5.17 0.00 3.13 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 67 K 9.08 4.13 0.00 2.10 1.89 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.45 7.81 68 D 7.66 4.85 0.00 2.99 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 69 R 7.94 2.51 0.00 1.27 1.69 0.00 3.18 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 1.59 1.21 0.00 70 A 7.73 3.88 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.54 4.15 0.00 4.08 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 72 F 7.93 2.78 0.00 2.67 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 73 E 8.02 3.31 0.00 2.02 1.81 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 2.23 2.47 0.00 74 A 7.85 3.95 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 75 N 7.90 4.38 0.00 2.78 2.98 0.00 0.00 6.95 7.39 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 76 I 7.36 3.45 1.49 0.00 0.00 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 0.16 0.30 0.71 0.00 0.00 77 A 7.80 3.87 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 78 Y 7.97 4.04 0.00 3.08 3.16 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 79 L 8.11 3.68 0.00 1.58 1.52 0.76 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.28 3.86 0.00 2.04 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 0.00 2.33 2.19 0.00 81 D 7.97 4.28 0.00 2.94 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 82 T 7.92 4.13 3.69 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 1.05 0.00 0.00 *83 F 7.88 4.13 0.00 2.41 2.20 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 84 G 7.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.14 4.51 0.00 1.87 1.69 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.26 7.81 86 N 8.36 5.04 0.00 2.84 2.71 0.00 0.00 6.67 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 87 P 0.00 4.86 0.00 2.16 2.01 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 88 V 8.97 3.31 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 0.69 0.00 0.00 0.93 0.00 0.00 *89 F 5.46 4.10 0.00 2.23 2.36 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 90 L 7.86 4.16 0.00 1.61 1.78 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.30 4.21 0.00 2.05 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 92 L 7.68 4.31 0.00 1.71 1.66 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.80 4.42 2.40 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 1.01 0.00 0.00 1.10 0.00 0.00 94 T 8.09 3.97 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 1.34 0.00 0.00 95 T 7.86 4.31 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 96 A 7.19 3.94 0.36 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 97 K 7.97 4.48 0.00 1.43 1.55 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.21 7.81 98 F 8.82 5.28 0.00 2.84 2.93 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 99 T 9.24 4.79 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 0.00 100 T 8.75 5.19 4.33 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 1.37 0.00 0.00 101 S 9.36 4.76 0.00 3.89 3.89 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 0.00 102 R 8.59 4.75 0.00 1.62 1.63 0.00 3.28 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 103 C 8.94 4.84 0.00 2.94 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 0.00 104 L 7.94 4.62 0.00 1.35 1.36 0.84 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.27 3.84 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 0.77 0.00 0.00 0.97 0.00 0.00 106 V 8.54 3.73 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 0.87 0.00 0.00 0.91 0.00 0.00 *108 E 7.84 4.22 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 2.20 2.33 0.00 109 V 8.06 4.01 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 0.65 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.