NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2242 8.2993 121.7676 56.5544 32.7754 174.6085 4 V 4.2634 8.1324 117.2871 59.0762 33.3544 174.3716 5 C 4.5098 9.3117 123.7601 59.4971 33.2208 175.6587 6 E 4.1796 8.5626 124.3327 59.4758 29.3861 178.6733 7 I 3.8792 7.5761 117.9907 64.4130 37.7228 177.7683 8 S 4.0691 7.9251 114.0704 61.8539 63.0849 175.4843 9 G 4.0443 8.2447 106.7893 43.7782 0.0000 173.2906 10 K 4.1869 8.1692 121.0501 56.5506 32.8523 176.5513 11 R 5.0958 8.4171 120.9995 53.0278 32.7166 173.5486 12 P 4.8034 0.0000 0.0000 63.1078 32.0421 175.7232 13 I 4.5349 8.9028 116.1024 59.3020 40.9203 174.1466 14 V 4.5401 8.1627 122.0251 61.7408 33.1394 174.3821 15 A 4.6861 9.2208 127.6224 51.1778 23.7966 174.5249 16 N 5.1571 8.5602 116.2585 51.7199 41.7624 174.9208 17 S 4.7653 8.3107 112.1089 56.8754 61.8051 173.0635 18 I 4.1230 7.6892 119.8954 61.2545 37.6754 176.6274 19 Q 4.2933 8.6957 127.6306 55.4554 29.4694 175.8663 20 R 5.2058 8.5356 122.3247 54.6857 33.9367 175.1288 21 R 4.6064 8.8426 117.6406 55.6778 35.0372 174.9043 22 G 4.1705 8.8714 108.3264 44.5619 0.0000 174.4917 23 K 4.1163 8.9836 122.2379 55.0513 31.1974 174.8419 24 A 3.6783 7.6120 126.7428 49.7477 19.2036 178.2537 25 K 3.9089 8.7514 124.8080 59.3535 32.6662 177.9047 26 R 4.1574 8.1849 118.1334 59.3733 31.6402 176.4209 27 E 4.2930 8.1209 117.0573 56.6258 28.7900 179.2016 28 G 3.7713 10.0083 115.5105 47.2010 0.0000 175.5862 29 G 3.8870 5.4499 111.6635 46.8638 0.0000 174.9035 30 V 3.3125 9.7089 118.5322 61.0628 29.9026 174.9546 31 G 3.7174 7.4287 107.5311 46.3796 0.0000 171.8244 32 K 4.7721 8.2634 117.5777 54.6553 35.8486 175.2221 33 K 4.5171 8.9483 118.6857 55.5556 36.4504 176.1640 34 T 4.2146 8.6533 122.6406 64.2560 68.3972 174.2873 35 T 4.1988 9.3802 122.7212 62.1639 68.2819 174.0812 36 G 4.0549 7.5633 107.3357 47.4487 0.0000 172.2613 37 I 4.8136 7.9344 118.0121 60.5601 41.0120 174.3376 38 S 4.7639 8.4286 122.1547 55.9115 65.5876 173.4050 39 K 5.1252 9.0544 126.9209 55.9106 33.2048 176.0020 40 R 4.6041 7.9707 120.3083 55.8640 32.6633 173.1864 41 R 4.8008 8.4278 117.9023 54.9859 31.7870 175.2964 42 Q 4.3556 8.9346 121.2089 54.7352 30.4954 174.3417 43 Y 5.1662 8.3002 122.0088 56.2696 39.6603 173.7750 44 P 4.3759 0.0000 0.0000 62.1229 32.0873 176.4917 45 N 4.7420 8.8032 122.9222 53.7221 37.8363 172.8141 46 L 5.3172 8.2062 123.6761 53.7171 43.6887 175.3810 47 Q 4.7193 8.7464 118.4913 54.3790 33.7044 173.9094 48 K 5.2431 8.5113 118.5404 55.1921 33.9745 177.6711 49 V 4.4400 8.3506 122.6210 60.9687 33.0597 173.6379 50 R 4.6278 8.5065 125.3211 55.7544 30.9432 176.1156 51 V 4.1104 8.5123 121.6953 60.4346 34.7887 174.6163 52 R 3.7328 8.9627 120.3145 54.8002 30.1560 176.6461 53 V 2.9711 8.6656 122.3819 64.4103 30.8168 173.8694 54 A 3.6981 8.0543 132.4423 53.6233 16.5824 179.6835 55 G 3.9456 8.8097 107.2533 47.8824 0.0000 172.7663 56 Q 4.4632 7.2379 118.6714 54.7742 30.8370 174.3153 57 E 4.3961 8.2716 116.1726 56.3449 31.2875 177.4089 58 I 2.9172 6.5388 115.2403 60.1645 36.3743 172.6957 59 T 5.6150 7.7811 120.1066 59.2611 71.5237 173.5903 60 F 4.9545 8.4722 120.3622 55.6573 43.1520 175.0291 61 R 4.9082 9.8731 126.4612 54.8867 28.2579 174.8488 62 V 4.7824 8.0996 121.8350 59.1889 35.1760 176.4451 63 A 4.5179 8.6539 125.6054 52.0927 19.2030 178.5075 64 A 3.9414 9.3058 127.6535 55.3407 18.7574 179.6634 65 S 4.1136 8.1763 109.0589 61.4153 62.3934 175.0009 66 H 4.8131 8.9236 115.7289 55.2629 29.4413 175.5814 67 I 3.7001 8.1571 124.2802 64.1264 36.8005 175.8706 68 P 4.0741 0.0000 0.0000 66.3132 30.6535 178.2404 69 K 3.8267 7.4254 118.1157 58.5891 32.1741 178.2724 70 V 3.4844 7.7913 118.6402 66.2153 31.5645 177.3367 71 Y 3.7873 8.4649 115.9703 61.2639 37.4427 178.4924 72 E 3.9967 8.2910 119.3844 59.1232 29.9257 178.6625 73 L 4.0941 8.0458 119.3134 57.7697 41.2232 179.3240 74 V 3.5237 7.7921 117.7186 66.2612 31.0663 177.5236 75 E 4.0600 7.9785 117.7266 58.0706 29.4680 177.8751 76 R 4.5284 7.8065 113.9526 55.9232 29.9600 176.8218 77 A 4.6224 7.2560 118.3191 52.0352 19.7352 178.4760 78 K 4.0586 7.8289 118.8362 59.8603 32.3183 179.9743 79 G 4.1395 7.8903 105.1815 45.7194 0.0000 172.7725 80 L 4.6570 7.8038 120.3778 52.5100 45.0339 175.9285 81 K 4.3543 8.5211 125.1158 54.8152 32.0689 175.2486 82 L 4.8770 8.2027 126.1049 52.9558 44.7742 175.9176 83 E 4.0846 8.5783 124.7605 55.0039 32.6607 173.1139 84 G 3.6717 8.8246 120.2459 46.0491 0.0000 171.4714 85 L 3.9589 8.1874 127.4477 54.7497 41.6655 177.5139 86 S 4.7533 7.9609 114.9460 55.3132 64.2193 174.6661 87 P 4.2172 0.0000 0.0000 66.5340 31.1060 178.5959 88 K 3.7996 7.8690 118.7721 59.5622 32.2020 178.4176 89 E 4.0189 8.2453 116.8537 59.7610 29.4457 178.9869 90 I 3.8770 7.9930 120.3867 63.5071 37.3908 177.8757 91 K 3.8823 8.2598 120.6886 59.7241 31.7713 178.9776 92 K 4.0862 7.8455 118.2447 60.1179 32.8294 179.0004 93 E 4.2679 8.1922 118.7350 57.6650 30.2802 178.7077 94 L 4.2489 7.2715 118.4150 55.8013 39.5100 175.0929 95 L 3.4982 8.3298 124.8645 56.4866 42.6576 175.1199 *96 K 4.1330 7.7290 124.0592 54.7903 32.3453 177.7761 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 3 K 8.30 4.22 0.00 1.68 1.65 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 4 V 8.13 4.26 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 0.75 0.00 0.00 0.97 0.00 0.00 5 C 9.31 4.51 0.00 2.98 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 6 E 8.56 4.18 0.00 2.22 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 2.40 2.61 0.00 7 I 7.58 3.88 1.87 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.21 0.93 0.00 0.00 8 S 7.93 4.07 0.00 3.81 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 9 G 8.24 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 10 K 8.17 4.19 0.00 1.74 1.77 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.32 7.81 11 R 8.42 5.10 0.00 1.81 1.92 0.00 3.05 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 P 0.00 4.80 0.00 2.31 2.64 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 13 I 8.90 4.53 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 1.10 0.87 0.92 0.00 0.00 14 V 8.16 4.54 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 0.77 0.00 0.00 0.90 0.00 0.00 15 A 9.22 4.69 1.18 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 0.00 0.00 16 N 8.56 5.16 0.00 2.63 2.74 0.00 0.00 6.19 7.07 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 17 S 8.31 4.77 0.00 3.83 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 18 I 7.69 4.12 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 1.33 0.64 0.90 0.00 0.00 19 Q 8.70 4.29 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.64 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 20 R 8.54 5.21 0.00 1.65 1.80 0.00 3.19 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 21 R 8.84 4.61 0.00 1.75 1.75 0.00 3.09 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 22 G 8.87 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 23 K 8.98 4.12 0.00 1.80 1.73 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.43 7.81 24 A 7.61 3.68 1.25 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 0.00 0.00 0.00 25 K 8.75 3.91 0.00 1.72 1.86 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 26 R 8.18 4.16 0.00 1.80 1.95 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 27 E 8.12 4.29 0.00 1.96 1.37 0.00 0.00 0.00 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 2.25 0.00 28 G 10.01 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 29 G 5.45 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 0.00 0.00 0.00 30 V 9.71 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 0.68 0.00 0.00 0.93 0.00 0.00 31 G 7.43 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 0.00 0.00 0.00 32 K 8.26 4.77 0.00 1.71 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.41 7.81 33 K 8.95 4.52 0.00 1.57 1.65 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.56 7.81 34 T 8.65 4.21 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 1.26 0.00 0.00 35 T 9.38 4.20 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 1.25 0.00 0.00 36 G 7.56 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 0.00 0.00 0.00 37 I 7.93 4.81 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 0.32 0.90 0.00 0.00 38 S 8.43 4.76 0.00 3.81 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 39 K 9.05 5.13 0.00 1.77 1.67 0.00 1.61 0.00 0.00 2.61 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.32 7.81 40 R 7.97 4.60 0.00 1.90 1.94 0.00 2.99 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.60 0.00 41 R 8.43 4.80 0.00 1.48 1.83 0.00 3.07 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.13 0.00 42 Q 8.93 4.36 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 43 Y 8.30 5.17 0.00 2.91 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 44 P 0.00 4.38 0.00 2.07 2.02 0.00 3.80 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 2.12 2.21 0.00 45 N 8.80 4.74 0.00 2.83 2.75 0.00 0.00 6.72 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 46 L 8.21 5.32 0.00 1.79 1.67 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.75 4.72 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 48 K 8.51 5.24 0.00 1.64 1.76 0.00 1.64 0.00 0.00 2.30 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.34 7.81 49 V 8.35 4.44 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 1.38 0.00 0.00 1.05 0.00 0.00 50 R 8.51 4.63 0.00 1.78 1.87 0.00 3.26 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 1.65 1.66 0.00 51 V 8.51 4.11 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 0.91 0.00 0.00 0.62 0.00 0.00 52 R 8.96 3.73 0.00 1.77 1.86 0.00 3.50 0.00 0.00 3.14 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 53 V 8.67 2.97 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 0.96 0.00 0.00 0.95 0.00 0.00 54 A 8.05 3.70 1.16 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 55 G 8.81 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 56 Q 7.24 4.46 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 57 E 8.27 4.40 0.00 1.88 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 2.17 2.20 0.00 58 I 6.54 2.92 1.77 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.94 0.00 0.00 59 T 7.78 5.62 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 1.18 0.00 0.00 60 F 8.47 4.95 0.00 3.04 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 61 R 9.87 4.91 0.00 1.97 1.87 0.00 3.05 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 62 V 8.10 4.78 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 0.76 0.00 0.00 0.91 0.00 0.00 63 A 8.65 4.52 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 64 A 9.31 3.94 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 65 S 8.18 4.11 0.00 4.07 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 66 H 8.92 4.81 0.00 3.15 3.30 0.00 5.85 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.16 3.70 1.85 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 1.57 0.58 0.73 0.00 0.00 68 P 0.00 4.07 0.00 2.22 2.26 0.00 3.63 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 2.02 1.99 0.00 69 K 7.43 3.83 0.00 1.73 1.97 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.50 7.81 70 V 7.79 3.48 2.35 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 0.89 0.00 0.00 0.66 0.00 0.00 71 Y 8.46 3.79 0.00 3.24 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 72 E 8.29 4.00 0.00 1.98 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 0.00 2.32 2.49 0.00 73 L 8.05 4.09 0.00 1.87 1.65 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.79 3.52 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 0.94 0.00 0.00 0.82 0.00 0.00 75 E 7.98 4.06 0.00 2.05 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 2.33 2.36 0.00 76 R 7.81 4.53 0.00 1.97 1.98 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 77 A 7.26 4.62 1.30 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 78 K 7.83 4.06 0.00 1.83 1.86 0.00 1.66 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.57 7.81 79 G 7.89 4.14 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 0.00 0.00 0.00 80 L 7.80 4.66 0.00 1.51 1.66 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.52 4.35 0.00 1.74 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.71 1.43 7.81 82 L 8.20 4.88 0.00 1.63 1.54 0.93 0.95 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 83 E 8.58 4.08 0.00 1.88 1.71 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 2.21 2.36 0.00 84 G 8.82 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 85 L 8.19 3.96 0.00 1.63 1.71 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.96 4.75 0.00 3.99 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 87 P 0.00 4.22 0.00 2.23 2.44 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 88 K 7.87 3.80 0.00 1.85 1.80 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.56 7.81 89 E 8.25 4.02 0.00 2.09 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 2.32 2.42 0.00 90 I 7.99 3.88 2.10 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 1.68 0.93 0.93 0.00 0.00 91 K 8.26 3.88 0.00 1.68 1.91 0.00 1.11 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.43 1.21 7.81 92 K 7.85 4.09 0.00 1.99 1.93 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.49 7.81 93 E 8.19 4.27 0.00 2.10 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 2.36 2.51 0.00 94 L 7.27 4.25 0.00 2.07 1.73 1.11 1.00 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 95 L 8.33 3.50 0.00 1.73 1.64 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.73 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.