NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -15 S 4.5410 8.3193 115.2905 58.2782 63.5750 172.5294 -14 S 4.6092 8.8475 120.9781 55.1534 66.4639 173.1173 -13 G 3.6341 8.8025 105.9091 47.8435 0.0000 177.0310 -12 V 3.7009 7.7084 120.3617 66.2480 31.3358 177.9281 -11 D 4.4534 7.7407 117.4854 56.7265 40.7622 177.7755 -10 L 4.4846 7.3506 116.0255 53.9973 42.6284 177.3955 -9 G 3.8236 7.2752 109.2938 45.3601 0.0000 175.1894 -8 T 4.0009 8.4175 112.0764 64.0720 68.8467 176.6620 -7 E 3.9813 8.1164 122.3911 59.3430 29.7697 178.0495 -6 N 4.4766 8.1579 116.6753 56.6527 39.1277 176.6328 -5 L 4.0671 8.1759 120.5365 57.8031 41.4474 178.8600 -4 Y 4.1525 8.0508 118.5726 60.6776 38.8873 177.4246 -3 F 4.1465 7.9207 119.5153 61.6319 39.5622 176.6942 -2 Q 3.7868 8.3130 116.6256 58.5044 28.6778 180.1954 -1 S 4.1633 7.7313 115.4849 58.0872 63.2485 175.8228 *26 R 4.0522 8.0077 122.3994 57.3848 32.1697 178.2057 27 F 4.4615 7.6353 115.9615 60.7836 38.7999 176.9701 28 H 4.1713 8.2567 117.3241 59.3840 29.7627 177.1510 29 L 3.8060 7.7561 120.1725 57.6918 41.3239 179.1053 30 E 3.9554 8.2282 118.4974 59.6271 29.3582 179.6187 31 I 3.7807 7.8268 119.7307 64.3524 37.0742 178.3362 32 Q 4.0733 8.1835 122.0348 58.4427 28.8487 177.7615 33 E 3.8759 8.2434 120.5027 59.3779 29.6732 178.7501 34 E 4.0715 8.0555 118.1840 59.2777 29.1276 179.2443 35 E 3.2163 8.1647 118.9526 59.2811 29.3929 179.2827 36 T 3.8036 7.9801 116.0767 66.7549 68.4832 176.7258 37 K 3.9439 8.0816 120.1596 59.4344 31.9748 178.5888 38 C 4.2657 8.3599 118.5426 59.6143 44.3895 175.3177 39 A 3.9384 8.0467 122.4217 55.3805 17.9648 179.4691 40 E 3.9059 8.3116 116.9662 59.3791 29.3143 179.2417 41 L 3.9744 8.0027 119.5165 58.3998 42.3414 178.8593 42 L 4.1931 8.1671 118.8596 57.6420 41.3723 179.5016 43 R 3.9379 8.1029 119.1675 59.3085 29.8670 178.5895 44 S 4.2860 8.1565 112.5418 60.3394 63.2709 175.2948 45 Q 4.5488 7.6163 121.1282 55.7832 28.7245 177.2422 46 T 3.9505 7.6215 112.2500 64.6541 68.8839 175.6574 47 E 4.0261 8.0182 119.9679 58.2015 29.7311 177.8910 48 K 4.0356 7.8982 117.8491 57.2263 32.5205 176.4854 49 H 4.0327 7.8483 111.7598 56.6951 25.3480 173.9094 50 K 4.4348 7.7720 120.2488 54.3280 34.1345 176.9168 51 A 3.9650 8.2818 123.8212 54.7939 18.5188 177.1928 52 C 4.7952 8.0510 114.6393 54.7583 42.3399 174.6806 53 S 4.7958 8.8160 118.9613 57.6942 63.8717 174.3023 54 G 4.0787 8.7776 108.4010 46.8494 0.0000 173.1847 55 V 4.8990 8.9331 116.0274 59.2281 36.8921 174.1545 56 W 5.5853 9.0448 131.3025 54.8381 32.9270 173.9993 57 D 4.5353 8.5829 124.8716 52.6722 41.7114 174.0598 58 N 3.8094 9.0176 113.7177 55.0225 36.2753 174.2578 59 I 2.6787 7.4465 105.5645 61.5801 36.9432 173.8078 60 T 3.7619 5.8174 114.5687 62.4630 72.4374 172.6558 61 C 4.7061 8.1347 125.9774 56.0537 43.9089 172.7845 62 W 4.6771 8.9666 127.4921 54.4613 29.9328 175.7110 63 R 4.5399 8.6692 121.3665 55.4088 29.7511 174.9049 64 P 4.9863 0.0000 0.0000 63.4523 32.2060 175.3896 65 A 4.8574 8.9282 122.8950 51.0171 23.3511 174.9137 66 N 5.0646 9.3884 116.7528 50.9373 41.7759 175.1803 67 V 3.6981 8.1285 120.0980 64.9940 31.7845 176.5160 68 G 3.9755 9.0420 115.9187 45.0321 0.0000 173.3353 69 E 4.4107 7.9000 119.7617 56.1776 31.1468 175.6444 70 T 5.0078 8.4797 119.1658 61.8812 71.2355 173.5085 71 V 4.5144 9.1536 127.1572 61.7452 33.5327 174.5899 72 T 5.3794 8.6556 123.6100 62.0580 71.6979 173.6011 73 V 4.6936 9.0496 118.4072 58.5600 36.4563 173.3000 74 P 4.6462 0.0000 0.0000 62.8846 31.8776 176.8186 75 C 4.4621 8.1304 118.8063 56.3493 35.4903 172.2496 76 P 4.3061 0.0000 0.0000 62.8631 31.4833 177.5893 77 K 4.1133 8.8781 125.0035 59.1443 32.4978 178.8097 78 V 3.7970 7.6748 116.9930 63.4026 31.0954 176.6380 79 F 5.2047 7.6803 117.4750 57.1468 39.3190 177.7038 80 S 3.9056 8.0974 120.4823 62.0236 62.6404 176.6628 81 N 4.3211 7.9500 114.4989 54.8348 38.5886 175.4200 82 F 4.4815 8.0119 116.7982 57.1432 39.7623 174.7811 83 Y 5.1877 7.3571 120.2309 57.4865 38.3522 175.6503 84 S 4.6304 8.5578 118.5592 58.3147 64.0247 173.9103 85 K 4.5506 7.4402 118.4829 55.1033 35.1881 175.3689 86 A 4.0888 8.4836 123.5885 52.3960 18.9363 177.1145 87 G 4.1917 8.2010 107.5599 46.4210 0.0000 171.6306 88 N 5.4017 8.5617 117.0860 51.0285 40.8840 173.3621 89 I 4.8294 8.7666 112.5378 59.5627 40.0880 174.4106 90 S 5.4657 8.4547 117.4373 57.4243 67.9212 172.7642 91 K 4.5135 8.9505 121.9448 55.0621 35.8580 174.3854 92 N 5.4825 9.1315 124.2048 51.8528 41.3175 172.9321 93 C 4.5489 9.0102 124.1516 55.4179 40.5645 172.9680 94 T 4.7440 8.3036 116.4830 59.2082 71.0591 175.0432 95 S 4.2331 8.5035 115.1224 60.4316 62.9749 174.4862 96 D 4.7791 8.0504 121.0512 53.9682 41.3589 176.2570 97 G 3.7510 7.7741 106.9286 43.6758 0.0000 173.2938 98 W 4.8532 8.2528 118.1494 56.3660 29.6667 177.0207 99 S 4.4636 9.1701 118.9499 57.7815 63.5467 173.5733 100 E 4.0347 8.5989 121.5460 56.7133 30.3030 176.4184 101 T 4.1797 8.2430 122.2541 63.3680 69.0636 174.1562 102 F 4.8352 8.0976 126.9897 56.0577 42.5349 172.3455 103 P 3.5803 0.0000 0.0000 62.6702 32.2366 175.8127 104 D 4.7608 8.1806 120.7453 51.8527 42.0163 176.5028 105 F 3.9977 9.2781 120.4352 62.0154 39.0138 177.5210 106 V 3.3390 7.8957 116.7603 65.5577 31.4139 177.5998 107 D 4.1996 7.8781 117.1750 57.4205 40.2198 178.6355 108 A 3.8172 8.1798 121.5337 54.6587 18.1557 178.1391 109 C 4.1662 7.6763 112.3781 55.4370 41.6808 173.9167 110 G 3.8413 7.5088 108.7896 46.2994 0.0000 172.9277 111 Y 4.8529 7.4872 119.8917 57.6722 39.5066 175.2501 112 S 4.4583 8.0064 120.1056 57.0610 66.0322 173.4873 113 D 4.6271 8.4483 126.0827 52.3542 42.4502 173.0784 114 P 4.4788 0.0000 0.0000 62.4680 31.6773 176.0635 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 -15 S 8.32 4.54 0.00 3.85 3.84 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 -14 S 8.85 4.61 0.00 3.98 3.93 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 -13 G 8.80 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 -12 V 7.71 3.70 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 1.02 0.00 0.00 0.93 0.00 0.00 -11 D 7.74 4.45 0.00 2.77 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 -10 L 7.35 4.48 0.00 1.73 1.71 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 -9 G 7.28 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -8 T 8.42 4.00 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 1.22 0.00 0.00 -7 E 8.12 3.98 0.00 2.08 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 2.44 2.38 0.00 -6 N 8.16 4.48 0.00 2.92 2.98 0.00 0.00 7.17 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 -5 L 8.18 4.07 0.00 1.81 1.75 1.01 0.62 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 -4 Y 8.05 4.15 0.00 2.94 3.28 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 -3 F 7.92 4.15 0.00 2.98 3.24 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 0.00 -2 Q 8.31 3.79 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.43 0.00 0.00 0.00 0.00 0.00 2.86 2.56 0.00 -1 S 7.73 4.16 0.00 3.97 4.02 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 R 8.01 4.05 0.00 1.52 1.77 0.00 2.90 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.00 27 F 7.64 4.46 0.00 3.08 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 28 H 8.26 4.17 0.00 3.26 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.76 3.81 0.00 1.79 1.66 0.86 0.93 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 30 E 8.23 3.96 0.00 2.18 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 0.00 2.33 2.53 0.00 31 I 7.83 3.78 1.87 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 1.31 0.61 1.05 0.00 0.00 32 Q 8.18 4.07 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.12 0.00 33 E 8.24 3.88 0.00 2.21 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 0.00 2.30 2.39 0.00 34 E 8.06 4.07 0.00 2.41 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 0.00 2.51 2.52 0.00 35 E 8.16 3.22 0.00 1.83 1.49 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 1.47 1.57 0.00 36 T 7.98 3.80 4.35 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 1.17 0.00 0.00 37 K 8.08 3.94 0.00 1.98 1.87 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.60 7.81 38 C 8.36 4.27 0.00 3.31 3.22 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 39 A 8.05 3.94 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.31 3.91 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 2.53 2.45 0.00 41 L 8.00 3.97 0.00 1.72 1.94 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.17 4.19 0.00 1.77 1.76 1.01 0.77 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 43 R 8.10 3.94 0.00 2.02 2.11 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 44 S 8.16 4.29 0.00 4.09 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 45 Q 7.62 4.55 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 46 T 7.62 3.95 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 1.31 0.00 0.00 47 E 8.02 4.03 0.00 1.95 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 2.30 2.26 0.00 48 K 7.90 4.04 0.00 1.93 1.86 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.39 7.81 49 H 7.85 4.03 0.00 3.25 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.77 4.43 0.00 1.75 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.45 7.81 51 A 8.28 3.96 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 52 C 8.05 4.80 0.00 1.81 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 53 S 8.82 4.80 0.00 3.98 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 54 G 8.78 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 55 V 8.93 4.90 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 0.94 0.00 0.00 0.44 0.00 0.00 56 W 9.04 5.59 0.00 3.40 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 57 D 8.58 4.54 0.00 2.88 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 58 N 9.02 3.81 0.00 3.00 2.99 0.00 0.00 7.12 7.45 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 59 I 7.45 2.68 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.14 0.89 0.00 0.00 60 T 5.82 3.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 61 C 8.13 4.71 0.00 3.16 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 62 W 8.97 4.68 0.00 2.89 2.26 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 63 R 8.67 4.54 0.00 1.91 2.03 0.00 3.28 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 64 P 0.00 4.99 0.00 2.05 2.13 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 65 A 8.93 4.86 1.09 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 0.00 0.00 66 N 9.39 5.06 0.00 2.56 2.67 0.00 0.00 6.98 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 67 V 8.13 3.70 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 0.74 0.00 0.00 0.87 0.00 0.00 68 G 9.04 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 69 E 7.90 4.41 0.00 2.04 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 2.32 2.39 0.00 70 T 8.48 5.01 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 71 V 9.15 4.51 2.52 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 1.23 0.00 0.00 1.31 0.00 0.00 72 T 8.66 5.38 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 1.31 0.00 0.00 73 V 9.05 4.69 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 0.61 0.00 0.00 0.58 0.00 0.00 74 P 0.00 4.65 0.00 2.07 2.05 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 75 C 8.13 4.46 0.00 2.48 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 76 P 0.00 4.31 0.00 2.33 1.94 0.00 4.07 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.04 0.00 77 K 8.88 4.11 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 78 V 7.67 3.80 1.84 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 0.21 0.00 0.00 0.58 0.00 0.00 79 F 7.68 5.20 0.00 3.23 3.08 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 80 S 8.10 3.91 0.00 3.86 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 81 N 7.95 4.32 0.00 2.20 2.43 0.00 0.00 6.79 7.45 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 82 F 8.01 4.48 0.00 2.85 2.57 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 0.00 0.00 0.00 0.00 83 Y 7.36 5.19 0.00 2.91 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 84 S 8.56 4.63 0.00 3.98 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 85 K 7.44 4.55 0.00 1.79 1.74 0.00 1.52 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.35 7.81 86 A 8.48 4.09 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 87 G 8.20 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 0.00 0.00 0.00 0.00 88 N 8.56 5.40 0.00 2.74 2.71 0.00 0.00 5.83 7.81 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 89 I 8.77 4.83 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.45 0.93 0.00 0.00 90 S 8.45 5.47 0.00 3.76 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 91 K 8.95 4.51 0.00 0.79 0.85 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.60 7.81 92 N 9.13 5.48 0.00 2.72 2.72 0.00 0.00 6.41 7.18 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 93 C 9.01 4.55 0.00 2.01 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 94 T 8.30 4.74 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 1.19 0.00 0.00 95 S 8.50 4.23 0.00 3.96 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 96 D 8.05 4.78 0.00 2.65 2.66 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 97 G 7.77 3.75 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 0.00 0.00 0.00 98 W 8.25 4.85 0.00 3.10 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 S 9.17 4.46 0.00 3.83 3.91 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 0.00 100 E 8.60 4.03 0.00 1.97 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 2.34 2.35 0.00 101 T 8.24 4.18 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 1.28 0.00 0.00 102 F 8.10 4.84 0.00 2.89 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 0.00 103 P 0.00 3.58 0.00 1.81 1.46 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 104 D 8.18 4.76 0.00 3.10 2.95 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 0.00 105 F 9.28 4.00 0.00 3.22 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 0.00 106 V 7.90 3.34 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 1.15 0.00 0.00 1.13 0.00 0.00 107 D 7.88 4.20 0.00 2.93 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 0.00 108 A 8.18 3.82 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 0.00 109 C 7.68 4.17 0.00 2.16 1.61 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 0.00 110 G 7.51 3.84 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 0.00 0.00 0.00 111 Y 7.49 4.85 0.00 2.83 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 0.00 112 S 8.01 4.46 0.00 3.82 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.63 0.00 2.18 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 0.00 0.00 0.00 0.00 114 P 0.00 4.48 0.00 2.21 2.00 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 * Residues marked with a * may have inaccurate shift predictions.