NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.8328 8.2116 122.9740 50.8924 19.5252 175.5093 2 K 3.5504 9.2418 133.9743 55.0901 30.5264 173.3686 3 Q 3.9808 8.3799 125.5550 58.8282 29.5350 177.8704 4 S 3.7785 8.1863 113.2867 62.0918 62.8061 176.3486 5 M 4.1266 7.9547 121.8609 58.1826 31.7844 178.3537 6 K 3.7832 8.1631 118.9507 59.7628 32.1192 177.8149 7 A 3.9091 8.8011 121.8985 55.4590 16.9057 179.2352 8 R 3.9104 8.0658 116.1552 59.5444 29.8863 177.6434 9 E 3.9337 7.6098 114.7502 56.7427 29.9386 177.7548 10 V 3.9151 8.1419 120.2150 65.1215 32.0383 177.7502 11 K 4.0319 7.5086 119.1539 59.0968 31.6876 179.2038 12 R 4.0022 7.7370 117.5192 59.3466 30.3645 178.7511 13 V 3.6310 7.6539 115.1555 65.0661 31.7236 177.4076 14 A 4.2064 7.7161 120.6686 55.1031 17.9849 178.6234 15 L 4.8488 7.7634 115.0843 55.0823 42.3075 177.1694 16 A 4.2962 7.0342 120.2779 51.3854 18.8750 176.8598 17 D 4.7356 7.9788 123.2572 55.8878 44.4012 178.2032 18 K 4.1812 8.5487 118.1847 58.5174 32.4080 176.6368 19 Y 4.4741 7.9682 115.3903 59.8178 39.4232 180.1555 20 F 4.6566 8.6281 117.1174 57.3195 39.3656 176.7615 21 A 4.8488 8.7859 135.0000 51.6466 17.1233 181.9218 22 K 4.2965 8.7261 117.9409 60.0445 31.8852 178.2270 23 R 4.2323 7.8170 117.1434 56.9004 30.5864 177.6650 24 A 3.9538 8.0514 120.8808 53.7141 18.5953 177.8581 25 E 4.6971 7.7706 110.3694 55.5346 32.3523 177.0882 26 L 4.0381 8.0184 122.5539 58.0113 42.2881 178.0330 27 K 4.1761 7.9643 116.2040 58.3657 33.5320 178.3964 28 A 3.9772 7.8584 122.2877 55.6961 17.9918 179.7211 29 I 4.1899 7.5596 117.2825 63.9218 37.5381 177.8799 30 I 4.1173 7.6222 117.9369 62.1962 36.7444 176.8173 31 S 4.3789 7.4420 115.1498 59.9084 65.0283 174.4098 32 D 4.5020 8.8292 120.1680 52.6706 39.6620 175.9861 33 V 3.8525 8.0377 119.0824 63.2703 30.0019 172.8206 34 N 4.5765 8.3288 125.6148 54.1083 45.5321 174.7808 *40 R 4.8003 7.6590 113.8328 56.3287 31.6284 174.6441 41 W 4.0600 8.0654 124.0509 56.7071 33.6584 174.0050 42 N 4.2191 8.5561 125.1867 56.8776 38.4885 176.4203 43 A 4.2216 8.7540 119.3717 54.6277 18.7038 178.3013 44 V 4.0613 7.8369 114.0347 64.5939 32.4500 176.3962 45 L 4.5732 7.6574 119.2356 55.3623 41.9651 177.2604 46 K 4.4145 7.9594 118.0256 58.0088 34.8176 178.5489 47 L 3.8833 8.2677 118.7608 58.2619 41.8043 177.7957 48 Q 3.9381 8.1642 117.7422 59.2752 29.4328 177.4717 49 T 4.3255 7.6856 116.3071 62.5291 67.2449 174.1925 50 L 4.3000 7.6449 124.7154 56.2680 43.0438 176.4571 51 P 4.7435 0.0000 0.0000 61.8067 33.0918 174.9975 52 R 4.6650 7.6981 116.5385 55.7202 30.0968 174.4267 53 D 4.4186 7.6298 110.4202 53.4621 42.2913 174.8728 54 S 4.5072 7.9257 112.5229 56.5893 64.6869 173.1571 55 S 4.6233 8.0480 116.7297 56.8468 64.6993 175.5783 56 P 4.3833 0.0000 0.0000 64.9156 31.2948 177.0864 57 S 4.4423 8.1232 115.8708 60.8138 63.5199 175.9939 58 R 4.3177 7.6591 112.7514 56.5369 29.0615 176.0417 59 Q 4.5506 7.3727 117.5404 54.7714 30.6738 174.5588 60 R 4.6160 7.8537 118.6958 54.6687 33.2332 174.3916 61 N 4.1432 8.1838 117.9821 53.5711 38.0541 175.2659 62 R 4.4016 6.7763 119.4433 53.8550 29.8720 175.7936 63 C 4.3401 8.2922 119.3643 60.1971 31.8141 174.2254 64 R 4.4255 8.5934 125.1789 56.6512 30.2212 176.4046 65 Q 4.4320 8.1372 118.4581 57.5362 30.5807 176.0054 66 T 4.2034 8.1476 105.2124 62.0193 70.7543 175.1274 67 G 4.2196 8.0532 108.7960 45.5227 0.0000 172.7964 68 R 4.5991 7.6406 118.6626 54.0223 31.6903 174.1376 69 P 4.1676 0.0000 0.0000 65.6464 31.0778 175.1031 70 H 5.0116 7.1016 112.1890 54.1930 31.3502 173.0755 71 G 3.9454 8.9494 107.4740 47.0578 0.0000 173.2420 72 F 5.3365 8.3560 113.1837 54.5798 40.6033 174.3403 73 L 4.2746 7.1782 120.1576 52.5200 44.6614 178.3610 74 R 3.7994 8.0850 121.3211 59.5607 30.2090 179.5994 75 K 4.1873 7.9694 112.7461 57.1675 31.7370 176.2352 76 F 4.6743 9.0396 115.3904 59.1108 45.5643 176.1514 77 G 4.4832 9.8334 107.9662 45.4431 0.0000 172.4971 78 L 5.2432 7.7303 117.8336 51.7426 45.6405 176.5245 79 S 5.1079 8.8083 119.0456 57.9535 64.9656 175.8690 80 R 3.8317 8.4967 120.8211 59.5653 28.4707 178.9312 81 I 3.7573 7.8552 112.9810 63.4910 37.2974 176.8743 82 K 4.0877 7.8954 120.0112 58.3703 32.2641 178.6831 83 V 3.2282 8.4024 116.7495 66.2430 31.7351 177.9827 84 R 3.7086 8.2014 117.0524 60.0700 29.8679 178.0197 85 E 3.8325 7.6765 120.0342 58.9235 29.8533 178.3237 86 A 4.4454 7.9146 119.5626 53.8015 19.8682 178.6548 87 A 4.1924 9.5154 118.0553 55.5784 18.3896 179.2706 88 M 4.2587 8.1780 116.1548 56.8000 32.0965 177.2820 89 R 4.4023 8.2432 115.2436 55.4717 29.9073 177.5973 90 G 3.9629 8.2103 106.1034 46.0250 0.0000 175.3526 91 E 4.0236 7.6057 119.1621 57.9785 29.6032 176.9013 92 I 4.4763 7.1761 119.9188 58.3342 39.0759 173.7734 93 P 4.1405 0.0000 0.0000 63.9913 30.9952 174.9212 94 G 3.8143 7.7085 117.0656 44.6609 0.0000 174.0722 95 L 3.6955 6.1815 131.8855 53.7051 40.5280 175.5181 96 K 4.8246 8.0233 126.3263 54.6581 35.4021 175.1620 97 K 4.0675 8.4188 117.6082 56.0254 32.7331 176.9041 98 A 4.1932 7.9362 126.4140 51.8186 19.8888 177.2497 99 S 4.4902 7.4156 112.3420 57.2976 64.2712 175.8323 100 W 4.4755 7.6978 122.8608 56.6300 28.0163 175.1099 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 A 8.21 4.83 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 2 K 9.24 3.55 0.00 2.05 1.86 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 3 Q 8.38 3.98 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 4 S 8.19 3.78 0.00 4.01 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 5 M 7.95 4.13 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 6 K 8.16 3.78 0.00 1.79 1.95 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 7 A 8.80 3.91 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 8 R 8.07 3.91 0.00 1.89 2.07 0.00 3.07 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 9 E 7.61 3.93 0.00 2.03 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 2.28 2.45 0.00 10 V 8.14 3.92 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 1.00 0.00 0.00 0.96 0.00 0.00 11 K 7.51 4.03 0.00 1.99 1.79 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 12 R 7.74 4.00 0.00 1.77 1.90 0.00 3.23 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.86 0.00 13 V 7.65 3.63 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 0.80 0.00 0.00 0.93 0.00 0.00 14 A 7.72 4.21 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.76 4.85 0.00 1.73 1.64 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.03 4.30 1.06 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 0.00 0.00 17 D 7.98 4.74 0.00 2.83 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 18 K 8.55 4.18 0.00 1.99 1.96 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.54 7.81 19 Y 7.97 4.47 0.00 3.37 2.83 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 0.00 0.00 0.00 20 F 8.63 4.66 0.00 3.04 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 21 A 8.79 4.85 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 0.00 0.00 0.00 0.00 0.00 22 K 8.73 4.30 0.00 1.83 1.87 0.00 1.94 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.43 7.81 23 R 7.82 4.23 0.00 1.99 1.91 0.00 3.09 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 24 A 8.05 3.95 1.45 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 0.00 0.00 0.00 25 E 7.77 4.70 0.00 2.20 2.14 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 2.21 2.38 0.00 26 L 8.02 4.04 0.00 1.80 1.73 0.91 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.96 4.18 0.00 2.03 2.04 0.00 1.47 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.62 1.45 7.81 28 A 7.86 3.98 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 29 I 7.56 4.19 1.89 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 1.67 0.64 0.98 0.00 0.00 30 I 7.62 4.12 2.00 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 1.83 0.89 1.04 0.00 0.00 31 S 7.44 4.38 0.00 3.90 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 32 D 8.83 4.50 0.00 2.73 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 33 V 8.04 3.85 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 0.78 0.00 0.00 0.93 0.00 0.00 34 N 8.33 4.58 0.00 2.66 2.75 0.00 0.00 7.23 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 *40 R 7.66 4.80 0.00 1.85 1.94 0.00 3.33 0.00 0.00 3.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 41 W 8.07 4.06 0.00 3.34 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 42 N 8.56 4.22 0.00 2.70 2.71 0.00 0.00 7.05 8.25 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 43 A 8.75 4.22 1.55 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 0.00 0.00 44 V 7.84 4.06 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 0.83 0.00 0.00 0.98 0.00 0.00 45 L 7.66 4.57 0.00 1.73 1.68 0.98 1.00 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 46 K 7.96 4.41 0.00 1.76 1.80 0.00 1.74 0.00 0.00 2.05 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.37 7.81 47 L 8.27 3.88 0.00 1.59 1.74 0.93 0.67 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 48 Q 8.16 3.94 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.38 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 49 T 7.69 4.33 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 1.21 0.00 0.00 50 L 7.64 4.30 0.00 1.78 1.93 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.74 0.00 1.70 0.90 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.14 0.00 52 R 7.70 4.67 0.00 1.69 1.85 0.00 3.31 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 53 D 7.63 4.42 0.00 2.58 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 54 S 7.93 4.51 0.00 4.55 3.57 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 55 S 8.05 4.62 0.00 3.93 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 56 P 0.00 4.38 0.00 2.16 2.04 0.00 3.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 57 S 8.12 4.44 0.00 3.93 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 58 R 7.66 4.32 0.00 1.94 2.01 0.00 2.97 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 59 Q 7.37 4.55 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.21 2.42 0.00 60 R 7.85 4.62 0.00 1.64 1.75 0.00 3.20 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 61 N 8.18 4.14 0.00 1.44 2.60 0.00 0.00 6.11 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 62 R 6.78 4.40 0.00 1.85 1.98 0.00 3.39 0.00 0.00 3.72 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 63 C 8.29 4.34 0.00 2.99 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 64 R 8.59 4.43 0.00 1.91 1.96 0.00 3.22 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 65 Q 8.14 4.43 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 66 T 8.15 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 1.22 0.00 0.00 67 G 8.05 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 0.00 0.00 0.00 0.00 68 R 7.64 4.60 0.00 1.84 1.81 0.00 3.22 0.00 0.00 3.47 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 69 P 0.00 4.17 0.00 2.07 2.13 0.00 3.69 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 1.79 1.89 0.00 70 H 7.10 5.01 0.00 3.23 3.38 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.95 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 72 F 8.36 5.34 0.00 3.18 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 73 L 7.18 4.27 0.00 1.46 1.46 0.60 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.09 3.80 0.00 1.81 1.97 0.00 3.15 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 75 K 7.97 4.19 0.00 1.70 1.93 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.19 7.81 76 F 9.04 4.67 0.00 2.87 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.83 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 5.24 0.00 1.80 1.58 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.81 5.11 0.00 3.90 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 80 R 8.50 3.83 0.00 1.95 2.13 0.00 2.95 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 81 I 7.86 3.76 1.87 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 1.64 0.67 0.91 0.00 0.00 82 K 7.90 4.09 0.00 2.07 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.45 7.81 83 V 8.40 3.23 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 0.45 0.00 0.00 0.62 0.00 0.00 84 R 8.20 3.71 0.00 1.88 2.06 0.00 3.14 0.00 0.00 3.06 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 85 E 7.68 3.83 0.00 2.40 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 0.00 2.33 2.36 0.00 86 A 7.91 4.45 1.43 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 0.00 0.00 0.00 87 A 9.52 4.19 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 88 M 8.18 4.26 0.00 1.99 2.13 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 2.62 2.66 0.00 89 R 8.24 4.40 0.00 2.05 2.11 0.00 2.83 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 90 G 8.21 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 91 E 7.61 4.02 0.00 1.92 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 0.00 2.40 2.50 0.00 92 I 7.18 4.48 2.01 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 1.51 0.72 1.09 0.00 0.00 93 P 0.00 4.14 0.00 2.02 2.00 0.00 3.68 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 2.00 2.08 0.00 94 G 7.71 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 95 L 6.18 3.70 0.00 1.76 1.85 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.02 4.82 0.00 1.84 1.90 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.35 7.81 97 K 8.42 4.07 0.00 1.71 1.70 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 98 A 7.94 4.19 0.38 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 0.00 0.00 99 S 7.42 4.49 0.00 3.79 3.79 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 0.00 100 W 7.70 4.48 0.00 3.28 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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.