NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4187 8.3001 118.7933 54.1266 34.3168 175.5035 2 A 4.0104 7.9819 119.1565 51.4278 19.9086 176.9682 *3 P 4.2034 0.0000 0.0000 66.0845 31.5925 177.3075 *4 T 4.4721 7.8117 109.7786 60.8091 68.8687 176.5291 *5 K 4.4107 8.3309 122.9295 56.1037 35.9127 179.1714 *6 K 4.0576 8.5125 124.1685 53.6930 31.3221 176.6498 7 A 4.0750 8.1168 122.4512 52.6038 18.8979 177.3435 8 K 4.2528 7.8891 115.8288 56.1925 35.0839 175.0668 9 K 4.6906 7.8120 129.7034 55.1164 32.7077 177.5405 10 S 4.6474 7.7934 115.9659 59.6331 62.9470 175.6620 11 G 3.7217 8.1249 108.6708 47.5017 0.0000 174.8419 12 E 4.1153 8.2356 120.8902 58.3923 29.7226 177.8367 13 N 5.0234 7.9959 117.2409 54.4982 38.5092 176.3762 14 I 3.7404 7.8922 121.5342 64.3254 37.9078 177.0973 15 N 4.3709 8.3108 117.7071 56.6652 38.7475 176.6182 16 N 4.3130 8.0814 117.4492 56.3115 38.7295 177.0728 17 K 4.0893 8.0216 120.2253 58.6280 32.2651 178.6847 18 L 3.9389 8.4930 121.5062 58.0778 42.0144 178.5361 19 Q 3.9274 8.3922 119.9217 59.2005 28.7679 178.0509 20 L 3.9587 7.5417 119.7230 58.0419 42.2303 178.8959 21 V 3.7287 8.1356 118.6406 66.2325 31.5083 177.6124 22 M 4.1079 8.9767 118.2949 59.2994 31.7870 179.1182 23 K 4.6517 7.8008 119.0716 58.8184 33.0343 176.9204 24 S 4.6541 7.6956 109.9431 57.9170 64.2938 173.9559 25 G 4.0220 8.0835 107.9597 47.5440 0.0000 173.4035 26 K 4.2613 8.1517 120.9165 54.9367 34.1723 175.4059 27 Y 5.1554 7.7053 120.7076 57.0131 41.1162 173.4426 28 T 4.9037 9.0919 115.2270 62.0389 73.2968 173.3582 29 L 4.9679 8.7305 125.0225 54.2216 44.5640 176.8084 30 G 4.2163 8.9814 110.6357 46.2173 0.0000 173.2206 31 Y 3.8230 8.8987 122.3173 60.5494 38.6402 178.7895 32 K 4.0196 8.2143 119.7537 60.0494 32.4196 178.6574 33 T 4.0130 7.8734 115.3346 66.0763 68.4650 176.9848 34 V 3.5293 8.2720 120.8291 65.8926 31.5116 177.7244 35 L 3.4074 8.2351 120.2138 57.9394 41.6273 179.0861 36 K 3.8565 7.3821 117.0628 59.7937 32.2983 179.2366 37 T 3.9985 8.2880 116.2277 66.6100 68.3252 176.9240 38 L 3.9746 8.5087 121.4892 57.8408 41.4716 179.5443 39 R 3.9757 7.5697 115.8741 57.9494 30.3694 178.0092 40 S 4.4157 7.8396 114.6388 57.9062 62.9122 175.4880 41 S 3.9529 8.0874 116.9172 58.8251 61.3503 172.0993 42 L 4.0966 7.5842 120.6053 57.5366 41.5174 178.4620 43 G 3.7726 7.9764 106.8556 45.7952 0.0000 173.1951 44 K 4.5097 8.5157 121.1826 56.0091 34.6553 175.2179 45 L 4.9354 7.6289 120.6318 54.2255 45.6368 173.8163 46 I 5.1320 8.8318 118.3603 59.1697 41.3914 173.9765 47 I 4.9468 8.8069 124.6743 59.6176 40.1749 174.5429 48 L 4.7977 9.2976 127.1636 53.0411 43.3974 176.1486 49 A 5.0801 8.8743 125.7588 51.6554 19.5816 176.1130 50 N 5.0428 7.8524 113.8726 52.3493 43.2556 174.1323 51 N 4.9013 8.2873 119.2233 52.8153 37.5544 175.4334 52 C 4.2333 7.7351 116.8276 59.4901 29.5252 172.9619 53 P 4.5021 0.0000 0.0000 61.5582 32.2225 175.3987 54 P 4.2221 0.0000 0.0000 66.2181 30.9660 178.9202 55 L 4.0046 8.0057 116.8197 57.0935 41.3787 178.4113 56 R 4.5144 8.3890 116.0265 56.1272 30.7431 177.2053 57 K 4.3260 7.7390 117.7116 60.3842 33.5460 178.8484 58 S 4.2974 7.9317 116.4065 60.8948 62.6367 176.2478 59 E 3.6327 7.8895 122.0982 59.2043 29.2835 179.0100 60 I 3.7479 7.6312 119.3186 64.3684 37.1717 178.0737 61 E 3.9495 8.1661 119.5079 59.6727 29.2089 179.3361 62 T 3.7867 8.1864 113.5413 65.3241 67.2869 175.8158 63 Y 4.3402 7.5996 118.5602 61.0216 37.9912 178.3452 64 A 4.0330 8.3487 121.9345 55.3749 18.2439 179.3874 65 M 4.0109 8.1571 115.9952 58.7064 32.4009 178.1395 66 L 4.1437 8.0272 118.0718 59.5223 42.3758 178.7020 67 A 4.4906 8.3883 122.9726 51.6384 21.1861 177.1567 68 K 4.7330 7.7474 111.2426 56.5826 32.4349 176.9379 69 I 4.4654 7.7859 119.4405 60.3391 39.4476 176.1694 70 S 4.7816 8.3657 118.2875 56.5671 65.4708 172.9898 71 V 4.4167 8.3203 125.5328 61.6143 32.9389 174.6702 72 H 4.5576 9.1404 130.4403 55.0552 30.4475 173.9687 73 H 4.9105 8.2927 124.9584 55.1856 25.7336 174.9546 74 F 4.0471 8.5156 124.4015 60.2888 39.4922 176.6893 75 H 4.5028 8.7538 112.9332 56.0727 29.6070 174.8052 76 G 3.4903 7.3544 108.5719 45.0770 0.0000 173.5628 77 N 4.5586 8.7220 120.6830 53.7016 37.0622 175.9432 78 N 4.3389 8.2333 118.4695 55.1736 39.4138 175.4196 79 V 3.1769 7.9424 116.0784 64.2202 29.4265 172.5293 80 D 4.5602 7.8288 119.6680 55.7206 41.4341 177.8969 81 L 3.8503 7.3513 121.3438 57.7786 41.8625 178.6470 82 G 3.6017 7.9801 105.3258 47.2249 0.0000 175.8365 83 T 3.8646 7.5846 117.5290 66.4774 68.4759 175.6280 84 A 4.0980 7.4606 122.9149 55.4346 18.5224 178.5360 85 C 4.0624 7.8197 110.6835 60.1375 28.7442 174.0603 86 G 3.9453 7.8668 109.4308 45.3707 0.0000 174.5161 87 K 4.2617 8.2781 126.4098 57.3674 32.4939 177.2877 88 Y 4.6248 7.6625 115.3426 61.9709 37.9769 176.3955 89 Y 4.8300 7.8996 118.8732 58.6278 35.6267 176.2134 90 R 4.2326 8.2202 119.2858 57.6916 30.6246 178.0620 91 V 4.7001 7.6489 116.9885 60.0584 34.6836 174.8089 92 C 4.2364 9.8403 123.4629 58.0078 35.1540 171.8826 93 C 5.1824 8.7264 126.2322 57.4858 34.2109 172.0772 94 L 5.1823 8.9857 127.9515 53.4846 45.2244 175.0475 95 S 5.2782 8.9629 121.7362 56.8634 66.2236 172.9505 96 I 4.8083 8.7813 124.1540 59.7273 39.7680 174.8667 97 L 5.1191 8.3319 125.6966 52.6033 46.3233 174.6317 98 D 4.4369 8.5064 119.8172 54.3242 40.5799 176.4549 99 P 4.5577 0.0000 0.0000 62.2948 32.0465 176.4850 100 G 3.6764 8.3840 105.7803 46.2447 0.0000 172.4746 101 D 4.2019 7.7385 116.9390 53.5981 45.0841 174.3063 102 S 4.7398 8.7601 111.1886 59.3454 60.5157 171.5803 103 D 4.5546 8.2042 123.3961 54.4035 40.1041 178.0807 104 I 3.7423 7.6450 121.9950 63.7698 37.6909 177.4887 105 I 3.7461 7.1601 118.5695 64.4330 37.2246 178.2822 106 S 4.2728 8.0152 115.5749 61.8643 62.4101 176.5732 107 T 3.8954 8.5041 118.8018 66.4034 67.9457 175.5210 108 T 4.6262 7.3834 111.4709 62.5307 67.5124 175.9570 109 T 4.1557 7.8001 119.9878 65.5431 68.9602 175.5481 *110 T 4.3288 7.4699 115.1351 60.3385 69.6554 180.2060 *111 T 4.3972 8.3422 120.3889 60.2834 69.7426 173.8500 *112 Q 4.2680 8.2722 116.7452 56.5200 29.2377 174.1741 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 8.30 4.42 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.98 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.10 2.00 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.61 0.00 *4 T 7.81 4.47 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 1.21 0.00 0.00 *5 K 8.33 4.41 0.00 1.73 1.54 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.27 1.22 7.81 *6 K 8.51 4.06 0.00 1.94 1.73 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.25 0.99 7.81 7 A 8.12 4.07 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 8 K 7.89 4.25 0.00 1.67 1.66 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 1.25 7.81 9 K 7.81 4.69 0.00 1.75 1.64 0.00 1.75 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 10 S 7.79 4.65 0.00 3.91 3.99 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 11 G 8.12 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 12 E 8.24 4.12 0.00 2.16 2.03 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 2.33 2.37 0.00 13 N 8.00 5.02 0.00 2.93 2.85 0.00 0.00 6.86 7.35 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 14 I 7.89 3.74 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.99 0.96 0.00 0.00 15 N 8.31 4.37 0.00 2.99 2.90 0.00 0.00 7.26 6.25 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 16 N 8.08 4.31 0.00 2.95 2.86 0.00 0.00 6.78 6.93 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 17 K 8.02 4.09 0.00 1.87 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 18 L 8.49 3.94 0.00 1.80 1.79 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.39 3.93 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 20 L 7.54 3.96 0.00 1.70 1.87 0.95 1.31 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 21 V 8.14 3.73 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 1.00 0.00 0.00 1.00 0.00 0.00 22 M 8.98 4.11 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 23 K 7.80 4.65 0.00 1.94 1.93 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.52 7.81 24 S 7.70 4.65 0.00 3.90 3.85 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 25 G 8.08 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 0.00 0.00 0.00 26 K 8.15 4.26 0.00 1.63 1.56 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.41 7.81 27 Y 7.71 5.16 0.00 2.80 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 28 T 9.09 4.90 4.28 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 1.28 0.00 0.00 29 L 8.73 4.97 0.00 1.52 1.67 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.98 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 31 Y 8.90 3.82 0.00 3.10 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 32 K 8.21 4.02 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.67 7.81 33 T 7.87 4.01 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 1.23 0.00 0.00 34 V 8.27 3.53 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 0.85 0.00 0.00 0.96 0.00 0.00 35 L 8.24 3.41 0.00 1.58 1.74 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.38 3.86 0.00 1.84 1.82 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 37 T 8.29 4.00 4.21 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 1.20 0.00 0.00 38 L 8.51 3.97 0.00 1.48 1.73 1.00 0.90 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 39 R 7.57 3.98 0.00 1.73 1.88 0.00 3.03 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 40 S 7.84 4.42 0.00 3.98 3.85 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 41 S 8.09 3.95 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 42 L 7.58 4.10 0.00 1.75 1.71 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.98 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 44 K 8.52 4.51 0.00 1.89 1.76 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 45 L 7.63 4.94 0.00 1.69 1.43 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.83 5.13 1.95 0.00 0.00 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 1.39 1.18 0.92 0.00 0.00 47 I 8.81 4.95 1.81 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 1.21 0.95 1.04 0.00 0.00 48 L 9.30 4.80 0.00 1.60 1.66 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.87 5.08 1.05 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 50 N 7.85 5.04 0.00 2.82 2.69 0.00 0.00 6.70 6.92 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 51 N 8.29 4.90 0.00 2.95 2.79 0.00 0.00 7.17 7.32 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 52 C 7.74 4.23 0.00 3.05 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 53 P 0.00 4.50 0.00 2.17 1.96 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 54 P 0.00 4.22 0.00 2.14 2.12 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 55 L 8.01 4.00 0.00 1.67 1.71 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.39 4.51 0.00 1.70 2.06 0.00 2.75 0.00 0.00 3.20 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 57 K 7.74 4.33 0.00 2.11 2.07 0.00 1.56 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.74 7.81 58 S 7.93 4.30 0.00 3.89 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 59 E 7.89 3.63 0.00 2.14 1.99 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 1.66 2.19 0.00 60 I 7.63 3.75 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.78 0.93 0.00 0.00 61 E 8.17 3.95 0.00 2.15 1.99 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 2.37 2.46 0.00 62 T 8.19 3.79 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 0.94 0.00 0.00 63 Y 7.60 4.34 0.00 3.19 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 64 A 8.35 4.03 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 0.00 0.00 65 M 8.16 4.01 0.00 2.16 2.11 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 2.62 2.59 0.00 66 L 8.03 4.14 0.00 1.90 1.77 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.39 4.49 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 68 K 7.75 4.73 0.00 1.61 1.75 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 69 I 7.79 4.47 2.06 0.00 0.00 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 1.13 0.56 0.92 0.00 0.00 70 S 8.37 4.78 0.00 3.83 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 71 V 8.32 4.42 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 0.75 0.00 0.00 0.93 0.00 0.00 72 H 9.14 4.56 0.00 3.27 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.29 4.91 0.00 3.05 3.23 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.52 4.05 0.00 3.06 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 75 H 8.75 4.50 0.00 3.40 3.51 0.00 5.81 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 76 G 7.35 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.72 4.56 0.00 2.87 2.98 0.00 0.00 6.32 8.04 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 78 N 8.23 4.34 0.00 2.90 3.06 0.00 0.00 6.84 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 79 V 7.94 3.18 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 0.85 0.00 0.00 1.07 0.00 0.00 80 D 7.83 4.56 0.00 2.97 2.77 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 81 L 7.35 3.85 0.00 0.27 0.79 0.70 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.98 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 3.86 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 1.19 0.00 0.00 84 A 7.46 4.10 1.23 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 0.00 0.00 85 C 7.82 4.06 0.00 3.06 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 86 G 7.87 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 87 K 8.28 4.26 0.00 1.73 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.54 7.81 88 Y 7.66 4.62 0.00 2.93 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 89 Y 7.90 4.83 0.00 3.19 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 90 R 8.22 4.23 0.00 1.97 2.13 0.00 3.40 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 91 V 7.65 4.70 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 0.82 0.00 0.00 1.04 0.00 0.00 92 C 9.84 4.24 0.00 2.15 2.32 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 0.00 93 C 8.73 5.18 0.00 3.08 2.82 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 94 L 8.99 5.18 0.00 1.58 1.34 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.96 5.28 0.00 3.83 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 96 I 8.78 4.81 1.89 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 1.25 1.34 0.93 0.00 0.00 97 L 8.33 5.12 0.00 1.46 1.53 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.51 4.44 0.00 2.63 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 99 P 0.00 4.56 0.00 2.04 2.26 0.00 3.95 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 100 G 8.38 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 0.00 0.00 0.00 101 D 7.74 4.20 0.00 2.60 2.56 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 0.00 102 S 8.76 4.74 0.00 3.94 4.09 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 0.00 103 D 8.20 4.55 0.00 2.91 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 0.00 104 I 7.64 3.74 1.87 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 1.65 1.99 0.91 0.00 0.00 105 I 7.16 3.75 1.87 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 1.52 0.65 0.91 0.00 0.00 106 S 8.02 4.27 0.00 4.01 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 0.00 107 T 8.50 3.90 4.33 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 1.21 0.00 0.00 108 T 7.38 4.63 4.21 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 1.29 0.00 0.00 109 T 7.80 4.16 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 *110 T 7.47 4.33 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 1.21 0.00 0.00 *111 T 8.34 4.40 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 1.21 0.00 0.00 *112 Q 8.27 4.27 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.62 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.