NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7073 8.2893 120.6279 55.5156 31.9598 173.6507 2 K 5.1643 9.4087 121.7808 54.3165 37.3485 174.5062 3 M 4.7810 9.5591 121.2245 53.8075 35.3858 175.6419 4 V 4.9182 8.9769 125.4553 61.1083 34.4756 174.1574 5 V 4.8321 8.6280 127.6503 61.1497 34.0880 174.0942 6 V 4.7904 9.3137 129.0197 61.4253 33.2931 174.2809 7 I 4.9043 8.3150 128.6578 59.2605 40.2651 175.3103 8 R 4.3379 8.4050 125.3482 56.3377 30.3138 176.0554 9 N 4.9421 9.0679 121.9788 53.3348 39.1093 174.6337 10 D 4.8410 8.0849 115.5465 53.6035 39.9146 176.9115 11 L 4.3403 7.8810 119.6328 54.5091 41.9947 177.6173 12 G 3.9200 8.1893 106.1074 46.1310 0.0000 173.9078 13 M 4.0817 7.3703 119.8667 55.1754 32.5439 177.4243 14 G 3.9209 8.4615 109.3822 43.5802 0.0000 174.7515 15 K 3.9841 8.6724 120.7546 59.6117 32.0922 179.3914 16 G 3.7134 8.1317 104.8977 47.8415 0.0000 175.4324 17 K 3.9515 8.0012 120.5823 59.4516 32.1748 178.9753 18 M 4.0246 8.1142 118.8252 58.5599 31.8668 178.9952 19 V 3.5651 7.8835 117.9026 65.8910 31.5820 178.0043 20 A 3.8650 7.9561 120.3782 55.2949 18.2759 179.7156 21 Q 4.0560 8.5837 117.1948 59.0020 28.7691 179.0460 22 G 3.7847 8.7639 107.2797 47.6861 0.0000 175.7743 23 G 3.6371 8.0966 108.0583 47.9631 0.0000 175.2890 24 H 4.2291 8.1753 119.1249 58.5736 28.7776 177.6582 25 A 4.0496 8.0309 122.3555 55.3470 18.0725 179.6517 26 I 3.7068 8.0307 118.5275 64.5479 37.3947 178.6625 27 I 3.7410 7.9969 113.8236 63.9557 37.0449 178.0991 28 E 3.9697 8.2831 120.2871 59.3643 29.3662 178.8767 29 A 4.1507 8.2979 119.5121 54.5899 18.3601 179.2491 30 F 4.1587 8.4629 119.7673 61.3895 39.4525 177.2760 31 L 4.0388 7.8898 117.1376 58.1220 41.8216 178.8717 32 D 4.4416 8.5765 117.5085 56.7283 40.7916 177.6538 33 A 3.9941 9.0482 117.9853 52.9398 18.0466 178.5728 34 K 3.9577 7.6070 119.2156 59.2323 32.3850 177.9281 35 R 4.5632 7.7191 116.1303 56.0253 30.8700 175.7197 36 K 4.2682 7.3289 117.3282 55.5032 35.9377 175.2540 *40 A 4.3709 8.6235 120.2793 53.1194 20.3283 179.1919 41 V 3.8743 7.5642 114.0802 65.9657 31.9163 177.4753 42 D 4.0920 8.2390 118.0927 57.6110 40.5240 178.8096 43 E 3.9272 8.1900 119.0808 59.0039 29.8516 178.1223 44 W 4.3841 7.9897 128.4267 60.6894 30.8400 177.7640 45 L 3.7658 9.0469 119.6730 58.0821 40.9897 179.9204 46 R 4.0308 8.0203 115.8737 58.3298 30.0645 177.7495 47 E 4.3054 7.9131 117.5346 56.0695 29.8875 176.5057 48 G 3.7628 7.7016 106.2160 45.3503 0.0000 174.2006 49 Q 2.0000 7.5118 116.3739 55.1039 27.6494 174.5956 50 K 4.0011 7.3207 120.3471 57.8788 33.9695 176.2560 51 K 5.3261 8.6585 125.1506 54.7374 35.8832 175.7559 52 V 4.3143 9.0442 125.8470 59.9338 33.6337 174.9685 53 V 4.5674 8.3761 126.4837 62.0660 32.9608 175.3662 54 V 5.0252 9.2097 121.7390 59.4174 35.2212 174.3490 55 K 5.3968 8.4463 119.5856 54.5575 35.7423 175.9988 56 V 4.6077 8.1545 112.2894 59.5564 36.6100 174.9967 57 N 5.3123 8.7718 118.2376 51.5827 39.5625 175.4020 58 S 4.5875 7.4811 109.5172 56.5892 66.3615 175.4449 59 E 3.9167 8.3406 124.1759 59.1937 29.5639 179.1293 60 K 3.9154 8.0064 118.4721 60.1917 32.4990 178.4946 61 E 3.9611 8.5600 121.3040 58.4818 29.5027 178.2832 62 L 3.9597 8.0659 120.6710 58.3481 42.3071 179.1531 63 I 3.9524 8.0886 112.5785 63.4832 37.2670 177.3960 64 D 4.4186 8.4153 119.8493 56.9697 41.0561 177.5698 65 I 4.0307 7.8113 120.0797 63.9423 37.3657 176.9219 66 Y 4.3292 8.1442 120.5004 60.5236 39.3109 176.9175 67 N 4.8670 7.8211 117.9100 52.2262 35.5621 173.3552 68 K 4.3293 7.6893 125.0076 56.8442 40.3500 178.5155 69 A 4.1477 7.5571 120.6229 55.9015 18.7888 179.8061 70 R 4.1300 6.7866 111.3974 56.6706 29.2344 175.7502 71 S 4.5340 7.8967 113.7102 58.9750 70.0800 176.0910 72 E 3.9868 8.6622 121.4242 58.8874 29.8037 178.3172 73 G 4.0018 7.4795 108.8197 42.8086 0.0000 172.9970 74 L 3.8587 8.0516 123.4895 57.7605 42.4439 176.4642 75 P 4.5734 0.0000 0.0000 63.3703 32.1126 175.0277 76 C 5.6648 8.3839 118.7075 59.1428 33.1173 172.5345 77 S 4.7320 8.0566 111.8391 57.8366 65.6767 172.9202 78 I 4.5259 7.9539 121.8130 60.4297 40.3081 173.2979 79 I 4.4516 8.6491 131.2598 59.7767 39.3031 174.6924 80 R 4.7912 8.4642 125.7385 54.5479 32.8080 174.1349 81 D 4.7850 8.7394 125.4464 52.5324 42.0676 176.7690 82 A 3.8928 8.9391 129.9910 54.3180 18.3984 178.0208 83 G 4.0478 8.3875 102.8042 45.9775 0.0000 173.8128 84 H 4.5088 8.0639 113.3864 56.0705 28.9975 174.6002 85 T 4.7386 6.9971 111.6977 59.8474 71.1469 174.3123 86 Q 3.7783 8.5519 118.0180 58.8863 28.7198 176.7118 87 L 4.2272 7.0148 118.6615 54.1487 42.3999 176.7602 88 E 4.2123 8.4248 121.0923 55.2734 30.2624 174.8758 89 P 4.1960 0.0000 0.0000 64.1899 31.8276 176.9923 90 G 3.8874 8.4994 109.6140 46.0865 0.0000 173.5626 91 T 3.9279 7.5657 117.7199 63.0365 68.7927 173.8906 92 L 5.0588 8.5432 126.6082 52.9293 41.9185 176.2734 93 T 4.2610 8.4309 115.1701 63.9305 70.3125 174.3436 94 A 5.3298 7.7053 121.6954 50.2261 23.5268 174.6935 95 V 5.1696 8.8896 116.9546 61.5211 35.7844 173.3062 96 A 4.9798 8.5746 127.1974 50.3860 22.3102 174.9248 97 I 4.2758 10.7357 126.0558 63.1509 38.2363 176.3586 98 G 3.6985 7.6827 115.6181 42.9616 0.0000 169.8694 99 P 3.8606 0.0000 0.0000 62.3674 31.4447 173.9233 100 E 4.4529 7.3880 126.3233 57.3803 35.2658 178.7273 *110 G 4.0503 8.0610 112.8110 45.7303 0.0000 172.8811 111 H 4.6933 8.0412 113.9382 55.6312 29.4079 174.9380 112 L 4.2369 7.6880 120.9040 54.3667 42.0273 177.3510 113 K 4.2684 8.7206 123.2502 56.2495 33.5328 176.2825 114 L 4.5627 8.3240 122.6284 54.2802 42.6016 177.0335 115 L 4.1167 8.4574 123.8759 55.4167 41.9919 176.4921 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 M 8.29 4.71 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.79 0.00 2 K 9.41 5.16 0.00 2.11 1.99 0.00 1.39 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.51 7.81 3 M 9.56 4.78 0.00 2.29 1.46 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 4 V 8.98 4.92 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 1.00 0.00 0.00 0.95 0.00 0.00 5 V 8.63 4.83 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 0.99 0.00 0.00 6 V 9.31 4.79 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 0.93 0.00 0.00 0.96 0.00 0.00 7 I 8.31 4.90 1.88 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 1.24 1.66 0.91 0.00 0.00 8 R 8.40 4.34 0.00 1.73 2.03 0.00 3.34 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 9 N 9.07 4.94 0.00 2.69 2.97 0.00 0.00 7.08 9.17 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 10 D 8.08 4.84 0.00 2.83 2.85 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 11 L 7.88 4.34 0.00 1.72 1.71 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.19 3.92 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 0.00 0.00 0.00 13 M 7.37 4.08 0.00 2.21 2.02 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 2.63 2.49 0.00 14 G 8.46 3.92 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 0.00 0.00 0.00 15 K 8.67 3.98 0.00 1.80 1.91 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 16 G 8.13 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.00 3.95 0.00 1.94 1.87 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.54 7.81 18 M 8.11 4.02 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.56 0.00 19 V 7.88 3.57 2.24 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 0.99 0.00 0.00 0.95 0.00 0.00 20 A 7.96 3.87 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 21 Q 8.58 4.06 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 22 G 8.76 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 0.00 0.00 0.00 23 G 8.10 3.64 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 0.00 0.00 0.00 24 H 8.18 4.23 0.00 3.30 3.35 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.03 4.05 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 26 I 8.03 3.71 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.77 1.00 0.00 0.00 27 I 8.00 3.74 1.91 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 1.84 0.71 0.89 0.00 0.00 28 E 8.28 3.97 0.00 2.23 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 2.54 2.46 0.00 29 A 8.30 4.15 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 30 F 8.46 4.16 0.00 3.26 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 31 L 7.89 4.04 0.00 1.76 1.80 1.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.58 4.44 0.00 2.94 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 33 A 9.05 3.99 0.88 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 0.00 0.00 34 K 7.61 3.96 0.00 1.72 1.86 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.82 7.81 35 R 7.72 4.56 0.00 1.75 1.90 0.00 3.13 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 36 K 7.33 4.27 0.00 1.70 1.60 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.24 7.81 *40 A 8.62 4.37 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 41 V 7.56 3.87 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 1.05 0.00 0.00 0.74 0.00 0.00 42 D 8.24 4.09 0.00 2.84 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 43 E 8.19 3.93 0.00 2.13 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 2.47 2.55 0.00 44 W 7.99 4.38 0.00 3.53 3.52 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 0.00 0.00 0.00 0.00 45 L 9.05 3.77 0.00 1.90 1.74 1.15 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.02 4.03 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 47 E 7.91 4.31 0.00 2.03 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 0.00 2.27 2.32 0.00 48 G 7.70 3.76 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 0.00 0.00 0.00 49 Q 7.51 2.00 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 50 K 7.32 4.00 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.54 7.81 51 K 8.66 5.33 0.00 1.71 1.77 0.00 1.84 0.00 0.00 1.90 0.00 0.00 3.10 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.72 1.90 7.81 52 V 9.04 4.31 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 0.82 0.00 0.00 0.96 0.00 0.00 53 V 8.38 4.57 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 1.04 0.00 0.00 0.96 0.00 0.00 54 V 9.21 5.03 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 0.82 0.00 0.00 1.02 0.00 0.00 55 K 8.45 5.40 0.00 1.73 1.73 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.24 7.81 56 V 8.15 4.61 2.19 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 0.77 0.00 0.00 0.94 0.00 0.00 57 N 8.77 5.31 0.00 2.68 2.78 0.00 0.00 6.82 7.16 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 58 S 7.48 4.59 0.00 3.98 3.90 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 59 E 8.34 3.92 0.00 2.05 1.98 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 2.36 2.35 0.00 60 K 8.01 3.92 0.00 2.03 2.06 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.51 7.81 61 E 8.56 3.96 0.00 2.04 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 0.00 2.32 2.33 0.00 62 L 8.07 3.96 0.00 1.90 1.85 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.09 3.95 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.59 0.93 0.00 0.00 64 D 8.42 4.42 0.00 2.79 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 65 I 7.81 4.03 2.06 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 1.44 0.85 0.95 0.00 0.00 66 Y 8.14 4.33 0.00 3.17 3.19 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 67 N 7.82 4.87 0.00 2.97 2.79 0.00 0.00 6.86 7.54 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 68 K 7.69 4.33 0.00 1.75 1.62 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.61 1.46 7.81 69 A 7.56 4.15 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 70 R 6.79 4.13 0.00 1.18 1.68 0.00 3.29 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 71 S 7.90 4.53 0.00 3.73 3.68 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 0.00 0.00 0.00 0.00 72 E 8.66 3.99 0.00 1.90 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 2.29 2.24 0.00 73 G 7.48 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 0.00 0.00 0.00 74 L 8.05 3.86 0.00 1.59 1.73 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.57 0.00 2.06 1.88 0.00 3.50 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 76 C 8.38 5.66 0.00 2.99 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 77 S 8.06 4.73 0.00 3.98 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 78 I 7.95 4.53 0.92 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.41 0.00 0.00 79 I 8.65 4.45 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 1.12 1.43 0.91 0.00 0.00 80 R 8.46 4.79 0.00 1.74 1.74 0.00 3.19 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 81 D 8.74 4.78 0.00 2.83 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 82 A 8.94 3.89 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 83 G 8.39 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 84 H 8.06 4.51 0.00 3.27 3.45 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.00 4.74 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 1.10 0.00 0.00 86 Q 8.55 3.78 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.03 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 87 L 7.01 4.23 0.00 1.44 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.42 4.21 0.00 2.02 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 2.39 2.32 0.00 89 P 0.00 4.20 0.00 2.03 1.98 0.00 3.72 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 2.02 2.08 0.00 90 G 8.50 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 91 T 7.57 3.93 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 1.20 0.00 0.00 92 L 8.54 5.06 0.00 1.58 1.57 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.43 4.26 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 1.20 0.00 0.00 94 A 7.71 5.33 1.24 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 0.00 0.00 95 V 8.89 5.17 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 1.41 0.00 0.00 0.91 0.00 0.00 96 A 8.57 4.98 1.27 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 0.00 0.00 0.00 97 I 10.74 4.28 1.87 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 1.19 1.13 0.89 0.00 0.00 98 G 7.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.86 0.00 1.28 0.49 0.00 3.52 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.00 100 E 7.39 4.45 0.00 1.81 1.74 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 1.96 2.12 0.00 *110 G 8.06 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 0.00 111 H 8.04 4.69 0.00 3.19 3.33 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.69 4.24 0.00 1.55 1.64 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.72 4.27 0.00 1.77 1.74 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.55 7.81 114 L 8.32 4.56 0.00 1.54 1.61 0.93 0.98 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 0.00 115 L 8.46 4.12 0.00 1.60 1.56 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.