NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2369 8.3144 120.1355 56.2207 33.5069 174.4369 2 E 4.2644 8.4687 123.0068 52.9403 30.7777 175.1543 3 S 4.4456 8.7963 123.1695 57.8065 66.3911 174.5688 4 A 4.0115 8.4789 123.5672 55.1849 18.0986 179.8446 5 A 3.9532 7.9747 118.6247 55.3412 18.5688 179.5769 6 A 4.0039 7.9659 119.0288 55.0719 18.3211 179.7977 7 K 3.8841 8.2945 118.2993 59.5677 32.2112 178.7844 8 F 4.0536 8.3405 120.9725 61.3784 39.3189 176.9514 9 E 4.0189 8.4361 118.2252 59.4134 29.0520 179.3732 10 R 3.8245 7.9036 117.6445 59.5684 30.2704 178.2458 11 Q 4.0247 8.0375 116.7131 57.7939 28.9015 176.3979 12 H 4.6638 7.9303 113.7040 55.0368 30.6960 173.1615 13 M 4.5306 7.6117 119.8466 53.8103 33.6884 176.6850 14 D 4.7417 8.1626 122.3608 52.9861 41.9633 174.8814 15 S 4.2301 7.7458 116.8695 59.9298 64.9421 174.9562 16 G 3.8674 8.1352 112.1378 46.0047 0.0000 175.0131 *21 S 4.2335 8.4044 118.1589 57.5129 63.1996 174.5928 22 S 4.2872 8.5117 121.0004 61.0261 63.0300 175.9721 23 S 4.3605 8.0475 114.0066 59.7755 63.3737 174.5132 24 N 4.6815 7.9763 118.9140 54.0387 38.9161 175.2936 25 Y 4.0289 7.7722 121.1762 62.1425 38.7417 177.4769 26 C 4.2602 8.4352 116.7340 60.1049 38.5751 175.9327 27 N 4.4594 8.2232 117.5013 56.3867 38.2031 177.2960 28 L 4.0564 7.7049 119.7430 57.9109 41.8348 179.3707 29 M 3.7123 7.9141 118.9034 58.5251 31.6548 178.6874 30 M 4.1103 8.0528 118.9676 58.4333 32.0565 178.5240 31 C 4.1766 7.6408 118.7583 61.9764 31.6002 175.0119 32 C 3.9678 8.1948 119.6609 62.7165 31.1288 174.5446 33 R 4.2948 8.5347 115.7829 55.5587 29.6983 176.7845 34 K 3.8607 7.5676 115.6085 58.6553 29.9468 175.4109 35 M 4.8136 8.5732 113.8483 55.3040 32.6220 177.1722 36 T 5.1670 7.8010 108.3590 61.7044 69.5171 172.9812 37 Q 4.9478 8.6792 121.1401 57.2641 30.8778 173.9641 38 G 3.9436 9.7302 111.6781 45.3719 0.0000 172.8982 39 K 3.4233 6.3814 114.6424 56.1311 34.2972 174.5126 40 C 4.7085 8.7128 117.5569 55.9187 41.0705 173.6082 41 K 4.3121 8.4887 126.5976 55.2055 32.3396 174.4738 42 P 4.7308 0.0000 0.0000 65.8949 31.8896 176.3118 43 V 5.0742 7.5452 116.9746 61.3408 34.8179 173.4254 44 N 4.6988 8.7929 122.6532 52.8628 42.7729 173.0561 45 T 4.7653 7.6676 119.6868 61.5467 71.8524 173.1807 46 F 4.7427 8.8372 124.0612 55.6171 41.9510 174.4262 47 V 4.4243 8.4617 123.1601 61.6016 32.7824 174.8380 48 H 4.9684 9.0088 124.3451 55.8062 29.3337 174.9767 49 E 4.4643 8.0599 118.7494 54.7181 31.0798 176.1853 50 S 4.3377 8.2345 114.4574 58.0074 63.9119 175.0894 51 L 3.9715 8.6403 123.1322 58.4138 41.6389 179.2468 52 A 4.0046 7.9717 120.2745 55.3016 18.1357 179.2088 53 D 4.3427 7.8092 116.0665 57.2944 41.1493 178.8920 54 V 3.7628 7.7100 118.4682 65.9400 31.7265 178.1233 55 K 3.9756 8.3021 118.0682 59.3218 31.8401 179.1424 56 A 4.0314 7.9033 120.6398 54.7757 18.1944 179.6979 57 V 3.7728 7.6861 117.0653 66.1641 31.3133 177.0042 58 C 4.0438 7.8863 114.8118 58.0023 39.9042 173.9519 59 S 4.6686 7.7042 115.0722 57.9992 64.0390 174.8921 60 Q 4.6333 7.6061 120.9902 56.5265 28.5279 177.3891 61 K 4.1419 8.6543 128.3784 57.2526 33.0474 175.6605 62 K 3.9010 8.5840 129.7756 56.0556 33.1779 176.0216 63 V 4.5206 8.6625 119.9663 59.8718 36.7595 174.4671 64 T 4.2925 8.1943 118.0488 62.6729 69.6033 176.1980 65 C 4.7292 8.7071 123.4640 56.3985 40.9942 175.0726 66 K 3.8231 8.9905 121.5415 59.5346 31.6214 178.0832 67 D 4.5902 8.0350 115.6568 53.2220 39.5321 177.0705 68 G 3.9596 8.0133 109.5328 45.6824 0.0000 174.4361 69 Q 4.1988 8.4988 119.2342 56.3246 29.2057 176.5808 70 T 4.6433 8.3126 108.2603 61.6109 69.3976 173.9451 71 N 4.9936 7.8601 119.4648 53.8002 38.2033 174.8774 72 C 5.5139 7.6523 115.1719 56.7838 42.4256 173.1766 73 Y 5.1731 9.3400 119.2784 56.2240 41.8176 174.0584 74 Q 5.2169 9.2714 124.0562 53.9304 32.1496 174.9039 75 S 4.7292 8.9705 121.8240 58.1987 63.6233 175.7003 76 K 4.0054 9.2658 123.2413 58.9831 32.6308 176.6301 77 S 5.0031 7.1839 110.0093 55.9591 66.1377 174.1276 78 T 4.1597 8.2324 110.3396 62.0625 69.7309 173.4514 79 M 4.9381 8.8180 121.0354 53.5927 37.1890 174.7216 80 R 4.7436 9.2583 121.3218 55.9958 31.4531 175.9072 81 I 5.1027 8.9164 116.9594 59.4189 42.0184 174.1296 82 T 5.0620 8.8854 119.2819 61.8495 71.7462 172.5745 83 D 4.9919 9.5391 127.1651 53.0343 43.3750 174.2045 84 C 5.5896 9.1283 123.3897 55.3191 42.7149 173.2248 85 R 5.4378 8.6540 121.9731 54.0052 33.9509 174.7881 86 E 4.2079 9.2222 123.7052 57.0243 30.1636 177.5827 87 T 4.2544 8.6780 114.7341 60.5871 69.9910 175.7307 88 G 3.7309 8.5603 110.1094 47.5377 0.0000 174.2422 89 S 4.6890 7.7149 113.9257 57.8484 63.5390 173.9731 90 S 4.2254 7.5680 115.1388 58.7124 63.0137 173.8083 91 K 4.1048 8.5117 123.6586 55.6724 34.2923 173.9745 92 Y 4.3547 8.8462 128.0793 57.7127 38.9268 174.5413 93 P 2.9700 0.0000 0.0000 63.3245 32.3931 176.8658 94 N 4.5881 7.7989 119.6895 52.3872 36.9184 173.5095 95 C 4.5866 7.7558 116.9212 56.5905 42.4195 173.4008 96 A 4.9314 8.1721 124.0743 50.7013 22.1984 174.7879 97 Y 5.2272 9.6119 119.3858 56.0206 41.9343 174.8154 98 K 4.5779 9.1024 123.1019 55.4078 34.1752 175.1528 99 T 4.8761 8.5831 124.2202 62.8788 70.0508 174.4078 100 T 4.5722 8.7727 122.3608 62.0855 72.4667 172.7625 101 Q 4.9520 8.7571 125.9499 54.7195 30.3772 175.5094 102 V 4.5839 8.6352 116.1299 60.1523 37.2794 173.4793 103 E 5.1228 8.6442 120.0919 54.9539 31.7694 175.9368 104 K 4.6937 8.7297 122.7966 55.1647 37.7185 175.2736 105 H 4.8140 9.4218 119.4261 55.8230 29.9523 174.9161 106 I 4.9188 8.8417 115.0371 59.1842 41.1135 174.2971 107 I 4.8995 8.6856 124.3797 59.7343 40.2958 175.1135 108 V 4.8084 8.8859 119.3801 59.4143 36.2266 174.2786 109 A 5.1489 8.8796 124.4366 50.9468 20.9614 175.5702 110 C 5.4647 8.8775 118.8603 55.5653 41.2692 173.5805 111 G 3.8737 9.0196 108.3214 46.6332 0.0000 173.0197 112 G 4.0772 9.2790 108.6752 44.6291 0.0000 172.7370 113 K 4.3369 8.0985 118.8329 53.9518 33.9033 174.2093 114 P 4.3302 0.0000 0.0000 62.5462 31.8814 176.0102 115 S 4.6954 8.3581 115.4214 58.3936 62.7811 173.5176 116 V 4.6208 8.4853 119.6549 58.4854 36.3989 173.2806 117 P 4.8731 0.0000 0.0000 63.3902 31.2094 176.9121 118 V 4.5152 8.9085 115.9361 61.1497 33.8202 175.1862 119 H 4.7741 7.9889 119.4815 54.9319 33.4142 171.8532 120 F 4.4954 8.5102 127.9808 57.1944 39.4093 174.6051 121 D 4.5553 8.4034 126.9299 56.0130 41.8094 175.6761 122 A 4.6196 6.5085 117.5385 51.8292 22.3960 174.5405 123 S 5.2808 8.8304 112.5167 56.9410 66.5625 174.7592 124 V 4.1399 8.8157 120.5086 62.1685 31.5307 174.8297 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 1 K 8.31 4.24 0.00 1.77 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 E 8.47 4.26 0.00 2.01 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 2.24 2.37 0.00 3 S 8.80 4.45 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.48 4.01 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 5 A 7.97 3.95 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 6 A 7.97 4.00 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 7 K 8.29 3.88 0.00 1.96 2.04 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 8 F 8.34 4.05 0.00 3.18 3.23 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 9 E 8.44 4.02 0.00 2.27 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 2.49 2.70 0.00 10 R 7.90 3.82 0.00 1.78 2.06 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 11 Q 8.04 4.02 0.00 1.57 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 12 H 7.93 4.66 0.00 2.03 2.86 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.61 4.53 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 14 D 8.16 4.74 0.00 2.53 2.50 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 15 S 7.75 4.23 0.00 3.90 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 16 G 8.14 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 *21 S 8.40 4.23 0.00 3.90 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 22 S 8.51 4.29 0.00 4.02 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 23 S 8.05 4.36 0.00 4.04 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 24 N 7.98 4.68 0.00 2.92 2.98 0.00 0.00 6.66 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 25 Y 7.77 4.03 0.00 3.19 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 26 C 8.44 4.26 0.00 3.20 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 27 N 8.22 4.46 0.00 2.95 2.92 0.00 0.00 7.16 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 28 L 7.70 4.06 0.00 1.53 1.58 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.91 3.71 0.00 0.95 1.13 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.68 0.00 30 M 8.05 4.11 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 2.49 0.00 31 C 7.64 4.18 0.00 3.12 3.14 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 0.00 0.00 0.00 0.00 32 C 8.19 3.97 0.00 2.87 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 33 R 8.53 4.29 0.00 1.98 2.01 0.00 3.59 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 34 K 7.57 3.86 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.19 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.54 7.81 35 M 8.57 4.81 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.41 0.00 36 T 7.80 5.17 4.43 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 1.43 0.00 0.00 37 Q 8.68 4.95 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 38 G 9.73 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 39 K 6.38 3.42 0.00 1.67 1.48 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.04 1.22 7.81 40 C 8.71 4.71 0.00 3.15 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 41 K 8.49 4.31 0.00 1.81 1.76 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.38 7.81 42 P 0.00 4.73 0.00 2.19 2.35 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 43 V 7.55 5.07 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 0.84 0.00 0.00 0.98 0.00 0.00 44 N 8.79 4.70 0.00 2.62 2.22 0.00 0.00 7.04 6.62 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 45 T 7.67 4.77 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 0.92 0.00 0.00 46 F 8.84 4.74 0.00 2.96 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 47 V 8.46 4.42 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 0.86 0.00 0.00 1.08 0.00 0.00 48 H 9.01 4.97 0.00 3.14 3.26 0.00 5.70 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 4.46 0.00 1.98 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 2.31 2.26 0.00 50 S 8.23 4.34 0.00 4.01 4.01 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 51 L 8.64 3.97 0.00 1.79 1.73 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.97 4.00 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 53 D 7.81 4.34 0.00 2.84 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 54 V 7.71 3.76 2.23 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 1.11 0.00 0.00 0.98 0.00 0.00 55 K 8.30 3.98 0.00 1.97 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.67 7.81 56 A 7.90 4.03 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 57 V 7.69 3.77 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 1.06 0.00 0.00 1.08 0.00 0.00 58 C 7.89 4.04 0.00 2.97 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 59 S 7.70 4.67 0.00 3.88 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 60 Q 7.61 4.63 0.00 2.24 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 61 K 8.65 4.14 0.00 1.90 1.87 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 62 K 8.58 3.90 0.00 1.57 1.54 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 0.75 7.81 63 V 8.66 4.52 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 0.68 0.00 0.00 0.85 0.00 0.00 64 T 8.19 4.29 4.19 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 1.19 0.00 0.00 65 C 8.71 4.73 0.00 3.15 2.99 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 66 K 8.99 3.82 0.00 1.76 1.88 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.84 7.81 67 D 8.03 4.59 0.00 2.77 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 68 G 8.01 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 0.00 0.00 0.00 69 Q 8.50 4.20 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 70 T 8.31 4.64 4.19 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 1.23 0.00 0.00 71 N 7.86 4.99 0.00 3.00 3.10 0.00 0.00 6.06 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 72 C 7.65 5.51 0.00 3.09 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 73 Y 9.34 5.17 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 74 Q 9.27 5.22 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 75 S 8.97 4.73 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.27 4.01 0.00 1.90 2.02 0.00 1.46 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.70 7.81 77 S 7.18 5.00 0.00 3.91 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 78 T 8.23 4.16 4.26 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 1.05 0.00 0.00 79 M 8.82 4.94 0.00 1.95 1.96 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 2.52 2.51 0.00 80 R 9.26 4.74 0.00 1.80 1.90 0.00 3.06 0.00 0.00 3.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 81 I 8.92 5.10 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.05 0.00 0.00 82 T 8.89 5.06 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 1.29 0.00 0.00 83 D 9.54 4.99 0.00 2.77 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 84 C 9.13 5.59 0.00 2.86 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 85 R 8.65 5.44 0.00 1.79 1.83 0.00 3.30 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 86 E 9.22 4.21 0.00 1.83 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 1.93 2.18 0.00 87 T 8.68 4.25 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 1.21 0.00 0.00 88 G 8.56 3.73 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 0.00 0.00 0.00 89 S 7.71 4.69 0.00 3.92 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 90 S 7.57 4.23 0.00 3.77 3.72 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 91 K 8.51 4.10 0.00 1.74 1.60 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.46 7.81 92 Y 8.85 4.35 0.00 2.96 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 93 P 0.00 2.97 0.00 1.74 1.16 0.00 3.65 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 94 N 7.80 4.59 0.00 2.92 2.75 0.00 0.00 6.94 7.28 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 95 C 7.76 4.59 0.00 3.05 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 96 A 8.17 4.93 1.11 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 97 Y 9.61 5.23 0.00 2.83 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 98 K 9.10 4.58 0.00 1.87 1.74 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 T 8.58 4.88 4.32 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 1.28 0.00 0.00 100 T 8.77 4.57 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 1.23 0.00 0.00 101 Q 8.76 4.95 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.77 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 102 V 8.64 4.58 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 0.71 0.00 0.00 0.95 0.00 0.00 103 E 8.64 5.12 0.00 1.80 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 2.19 2.29 0.00 104 K 8.73 4.69 0.00 1.73 1.92 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.45 7.81 105 H 9.42 4.81 0.00 3.19 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.84 4.92 1.67 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 1.25 0.97 1.09 0.00 0.00 107 I 8.69 4.90 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.83 0.00 0.00 108 V 8.89 4.81 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 0.51 0.00 0.00 0.93 0.00 0.00 109 A 8.88 5.15 1.28 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 0.00 0.00 110 C 8.88 5.46 0.00 2.84 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 0.00 111 G 9.02 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 112 G 9.28 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 0.00 113 K 8.10 4.34 0.00 1.64 1.66 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.50 7.81 114 P 0.00 4.33 0.00 2.06 1.96 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 115 S 8.36 4.70 0.00 3.84 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 0.00 116 V 8.49 4.62 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 0.66 0.00 0.00 0.93 0.00 0.00 117 P 0.00 4.87 0.00 1.96 2.01 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 2.03 2.11 0.00 118 V 8.91 4.52 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 0.74 0.00 0.00 1.03 0.00 0.00 119 H 7.99 4.77 0.00 3.24 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.51 4.50 0.00 3.04 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 0.00 121 D 8.40 4.56 0.00 2.68 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 0.00 122 A 6.51 4.62 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 0.00 123 S 8.83 5.28 0.00 4.01 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 0.00 124 V 8.82 4.14 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 0.83 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.