NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2402 8.1685 120.1341 55.9491 33.8331 176.1045 2 A 3.8347 8.6974 124.0119 54.8283 18.0970 178.3705 3 I 3.6152 8.6383 117.9273 64.5634 38.2997 175.9118 4 N 4.3444 8.1339 116.5777 56.5062 38.3684 176.9271 5 N 4.3923 7.9694 117.3269 55.7858 38.5712 177.7074 6 I 3.5537 8.0485 121.9411 64.2418 37.1824 178.5026 7 V 3.7188 8.1920 119.1592 66.0677 31.4211 177.8607 8 A 4.0234 8.3201 120.7773 55.2088 18.1595 179.7919 9 S 3.9997 8.2419 113.6932 61.9034 62.8674 176.9068 10 F 4.3530 8.2169 120.5489 60.8754 38.5730 177.9978 11 S 4.1966 8.4684 114.8677 61.4811 62.5596 176.7071 12 S 4.0814 8.2608 116.0377 61.2997 62.0759 176.3549 13 V 3.5930 7.9964 121.0692 66.0837 31.3097 177.5306 14 N 4.3088 8.6316 117.1684 56.5529 38.7346 176.2727 15 D 4.3346 8.4160 119.5263 57.3247 41.2383 178.1478 16 A 4.0067 7.9526 121.2293 55.1621 18.3389 179.6668 17 I 3.5962 8.0518 118.5394 64.8249 37.1903 178.7088 18 T 3.7993 8.0305 116.5316 66.8974 68.2276 176.7328 19 Q 4.0433 8.2556 119.8268 59.0982 28.5776 178.9766 20 T 3.7950 8.0860 116.9646 66.4412 68.4660 176.6140 21 A 3.6890 7.8121 122.6965 54.9916 18.1468 179.4842 22 E 4.0260 8.1353 116.8408 59.4880 29.4795 179.4552 23 A 3.9708 8.1823 120.8432 55.2991 18.4183 179.5718 24 I 3.5986 7.9583 118.6423 64.8561 37.1825 177.9668 25 H 4.1587 8.3801 118.8870 59.7469 29.6904 177.3433 26 T 3.7632 8.1255 117.4847 66.6272 68.1875 176.7679 27 V 3.5910 8.0617 120.3564 66.2322 31.5324 178.0615 28 T 3.8445 8.1244 115.6541 66.7220 68.3106 176.5004 29 I 3.6532 7.6579 121.2504 64.3395 37.0694 178.3096 30 A 3.9897 7.9962 121.4533 55.2880 18.1434 179.7416 31 L 3.9135 8.2014 117.7351 57.8322 41.6697 179.2793 32 N 4.2910 8.3285 117.1661 56.5327 38.9891 177.2017 33 K 4.0035 8.2117 120.0272 59.3130 32.0405 179.4345 34 I 3.6588 8.0360 120.4417 64.4334 37.0197 178.0218 35 Q 3.8508 8.2093 120.5671 59.2823 28.7429 178.2011 36 D 4.2644 7.9880 118.6851 57.4305 41.3368 178.4549 37 V 3.5703 7.6386 118.4667 65.9200 31.4981 178.1167 38 V 3.5630 8.0456 118.3555 66.1964 31.3139 177.8151 39 N 4.4035 8.3886 116.1042 56.0445 38.3072 177.5374 40 Q 4.0111 8.0567 119.9536 58.9715 28.7345 178.7098 41 Q 4.1012 8.3997 119.3825 58.7250 28.6926 178.8878 42 G 3.6051 8.2926 106.8790 47.8552 0.0000 175.6857 43 S 4.1562 8.3211 117.9682 61.4028 62.9177 176.7167 44 A 4.0197 8.1359 123.1427 55.2108 18.1102 179.5849 45 L 3.9531 8.3613 117.7758 58.1540 41.7268 179.5972 46 N 4.3714 8.5549 116.7323 56.5450 38.3771 177.0406 47 H 4.1059 8.4371 119.7428 58.9586 29.8844 177.0925 48 L 3.9527 8.1276 122.4555 58.4507 41.7794 179.1247 49 T 3.8729 7.6908 108.3499 64.8841 68.7797 176.1468 50 S 4.2079 8.0237 115.1597 61.0109 62.4890 175.6314 51 Q 4.0819 8.0522 120.2932 58.7442 28.5033 178.5016 52 L 3.9884 7.8702 120.3704 56.8785 42.6218 176.7321 *69 L 4.1581 7.0410 115.8710 54.3464 42.8090 176.3361 70 T 4.2283 8.1960 110.6197 61.0202 69.6618 174.1344 71 Y 4.1856 8.5714 126.6156 57.5332 39.3954 174.9699 72 L 3.9261 8.6621 129.8300 54.1726 42.0501 175.7057 73 N 4.6110 8.4634 125.7657 52.3751 39.2395 173.8785 74 L 5.2664 8.8541 126.6889 53.8922 42.1650 178.3421 75 S 4.1682 8.3144 118.5474 62.1219 62.7355 177.0027 76 S 4.1902 8.0042 117.0869 61.5161 62.7845 176.4211 77 E 4.1226 8.1005 120.8653 59.3992 29.2068 179.1927 78 L 4.0191 8.4123 119.4408 57.7606 41.6154 179.7986 79 K 4.1522 8.1721 118.4229 59.4647 31.9957 179.4513 80 Q 3.9885 8.2745 118.4037 59.0375 28.6683 178.8444 81 L 4.0168 8.2329 120.2458 57.9031 41.6493 179.4794 82 E 4.0360 8.5617 118.5053 59.3131 29.3577 179.2458 83 A 4.0332 8.2595 120.9342 55.1590 18.3695 179.8807 84 K 3.9934 8.1146 118.3037 59.1811 32.0872 179.4902 85 T 3.7660 8.3850 116.2941 66.7510 68.4378 176.2124 86 A 4.1751 8.0994 122.5468 55.4143 18.1034 179.8934 87 S 4.1378 8.3276 112.7774 61.4237 63.1486 176.7221 88 L 3.9507 8.1923 122.8665 57.6430 41.3137 179.3976 89 F 4.4300 8.2274 117.7710 60.6276 38.7855 177.5229 90 Q 4.0245 8.4756 119.3330 59.4362 28.8306 178.2610 91 T 3.8963 8.2384 117.3001 66.9933 68.4854 176.5605 92 T 4.7800 7.9470 112.8880 64.2930 68.5755 176.7714 93 V 3.5700 7.7256 120.6848 65.7790 31.6115 177.7324 94 E 3.9233 8.1454 118.3451 59.5206 29.2801 179.2489 95 L 3.8665 8.3025 120.6131 58.0566 42.0747 178.6094 96 Q 4.0348 8.3634 119.8167 59.1708 28.9743 178.5810 97 G 3.6324 8.2660 106.7498 47.8654 0.0000 175.7019 98 L 3.9746 8.0262 121.4122 57.4305 41.5334 179.4783 99 I 3.6595 7.9143 120.0656 64.6615 36.9313 178.1663 100 D 4.3515 8.4194 119.9188 57.4822 40.3516 178.9708 101 Q 4.0162 7.8798 117.9004 58.7568 28.9119 178.5652 102 I 3.8403 7.8698 120.8248 64.6556 37.0475 177.9557 103 N 4.2213 8.0673 116.3424 56.3477 38.4802 176.6845 104 S 4.5147 7.5530 113.1289 59.7298 63.8296 174.8938 105 T 4.1976 7.8308 124.0684 63.8797 68.3680 173.8926 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 K 8.17 4.24 0.00 1.84 1.80 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 2 A 8.70 3.83 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 3 I 8.64 3.62 1.89 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 1.66 1.50 0.92 0.00 0.00 4 N 8.13 4.34 0.00 2.96 2.86 0.00 0.00 7.14 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 5 N 7.97 4.39 0.00 2.86 2.83 0.00 0.00 7.03 6.96 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 6 I 8.05 3.55 2.05 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 1.34 0.73 0.97 0.00 0.00 7 V 8.19 3.72 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 1.11 0.00 0.00 1.07 0.00 0.00 8 A 8.32 4.02 1.38 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 9 S 8.24 4.00 0.00 3.74 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 10 F 8.22 4.35 0.00 3.23 2.98 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 11 S 8.47 4.20 0.00 4.06 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 12 S 8.26 4.08 0.00 3.91 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 13 V 8.00 3.59 2.34 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 1.08 0.00 0.00 0.95 0.00 0.00 14 N 8.63 4.31 0.00 3.06 2.84 0.00 0.00 6.87 8.59 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 15 D 8.42 4.33 0.00 2.85 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 16 A 7.95 4.01 1.38 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 17 I 8.05 3.60 2.02 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 1.51 0.78 0.86 0.00 0.00 18 T 8.03 3.80 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 19 Q 8.26 4.04 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 20 T 8.09 3.79 4.31 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 1.15 0.00 0.00 21 A 7.81 3.69 0.16 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 22 E 8.14 4.03 0.00 2.23 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 2.59 2.70 0.00 23 A 8.18 3.97 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 0.00 0.00 0.00 0.00 0.00 24 I 7.96 3.60 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.90 0.00 0.00 25 H 8.38 4.16 0.00 3.28 3.59 0.00 5.59 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 26 T 8.13 3.76 4.40 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 1.20 0.00 0.00 27 V 8.06 3.59 2.21 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 1.11 0.00 0.00 0.95 0.00 0.00 28 T 8.12 3.84 4.43 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 1.23 0.00 0.00 29 I 7.66 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.89 0.00 0.00 30 A 8.00 3.99 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 31 L 8.20 3.91 0.00 1.82 1.71 0.91 0.84 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 32 N 8.33 4.29 0.00 2.98 2.91 0.00 0.00 7.19 5.55 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 33 K 8.21 4.00 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.64 7.81 34 I 8.04 3.66 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.88 0.00 0.00 35 Q 8.21 3.85 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 36 D 7.99 4.26 0.00 2.86 2.87 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 37 V 7.64 3.57 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 0.93 0.00 0.00 0.98 0.00 0.00 38 V 8.05 3.56 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 1.00 0.00 0.00 0.92 0.00 0.00 39 N 8.39 4.40 0.00 2.86 2.95 0.00 0.00 7.06 7.70 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 40 Q 8.06 4.01 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 41 Q 8.40 4.10 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 42 G 8.29 3.61 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 0.00 0.00 0.00 43 S 8.32 4.16 0.00 4.12 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 44 A 8.14 4.02 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 0.00 0.00 0.00 0.00 0.00 45 L 8.36 3.95 0.00 1.94 1.75 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.55 4.37 0.00 2.89 2.89 0.00 0.00 6.71 7.75 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 47 H 8.44 4.11 0.00 3.34 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.13 3.95 0.00 1.94 1.83 0.93 0.65 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 49 T 7.69 3.87 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 50 S 8.02 4.21 0.00 4.03 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 51 Q 8.05 4.08 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 52 L 7.87 3.99 0.00 1.87 1.77 0.92 0.95 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 *69 L 7.04 4.16 0.00 1.73 1.65 0.99 0.87 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 70 T 8.20 4.23 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 1.23 0.00 0.00 71 Y 8.57 4.19 0.00 2.91 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 72 L 8.66 3.93 0.00 1.41 1.41 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.46 4.61 0.00 2.95 2.78 0.00 0.00 7.14 7.78 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 74 L 8.85 5.27 0.00 1.76 1.61 0.92 0.72 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 75 S 8.31 4.17 0.00 4.06 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 76 S 8.00 4.19 0.00 3.88 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 77 E 8.10 4.12 0.00 2.18 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 2.39 2.46 0.00 78 L 8.41 4.02 0.00 1.78 1.90 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.17 4.15 0.00 2.08 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.54 7.81 80 Q 8.27 3.99 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 81 L 8.23 4.02 0.00 1.80 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.56 4.04 0.00 2.17 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 2.38 2.41 0.00 83 A 8.26 4.03 1.38 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 84 K 8.11 3.99 0.00 1.91 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.48 7.81 85 T 8.38 3.77 4.49 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 1.48 0.00 0.00 86 A 8.10 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.33 4.14 0.00 4.07 4.15 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 88 L 8.19 3.95 0.00 1.68 1.53 0.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.23 4.43 0.00 3.31 2.92 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 90 Q 8.48 4.02 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 91 T 8.24 3.90 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 92 T 7.95 4.78 4.36 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 1.36 0.00 0.00 93 V 7.73 3.57 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 1.10 0.00 0.00 1.00 0.00 0.00 94 E 8.15 3.92 0.00 2.21 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 2.32 2.40 0.00 95 L 8.30 3.87 0.00 1.75 1.69 0.67 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 8.36 4.03 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 97 G 8.27 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 98 L 8.03 3.97 0.00 1.72 1.55 0.82 0.73 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 99 I 7.91 3.66 2.02 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 1.53 0.72 0.95 0.00 0.00 100 D 8.42 4.35 0.00 2.84 2.71 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 0.00 101 Q 7.88 4.02 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 102 I 7.87 3.84 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.96 0.00 0.00 103 N 8.07 4.22 0.00 2.97 2.93 0.00 0.00 7.11 8.23 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 0.00 104 S 7.55 4.51 0.00 3.97 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 0.00 105 T 7.83 4.20 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 * Residues marked with a * may have inaccurate shift predictions.