NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.6982 8.4249 118.0386 53.3471 39.9795 173.2410 2 Y 4.8407 8.9301 120.2626 55.9438 40.5246 173.9385 3 K 4.5573 9.9840 122.8507 55.1963 34.4904 177.8441 4 I 3.6308 9.2256 124.8710 64.5670 37.2198 178.7645 5 S 4.2509 8.0046 113.6666 60.3820 62.9338 174.8022 6 E 4.2540 8.0522 119.5935 56.9335 29.7404 176.1469 7 L 3.7597 7.1241 118.4917 53.7942 42.1362 174.3044 *9 P 4.0365 0.0000 0.0000 63.8389 32.1328 176.8869 10 N 4.4340 8.4527 116.6150 53.5216 36.7527 173.6241 11 L 4.6277 6.6263 120.5231 53.3707 44.5801 175.1715 12 S 5.1166 8.3726 121.0708 57.1594 65.3782 173.6190 13 G 4.3593 8.5314 110.9032 46.2579 0.0000 171.5221 14 T 5.4610 8.6958 115.2065 61.6890 72.5054 173.4510 15 I 5.0525 8.8325 117.8320 59.2537 41.5407 174.0581 16 N 5.4332 8.8551 121.0903 51.8457 39.9523 173.7900 17 A 4.8379 8.9057 125.2256 49.8826 23.6094 174.3251 18 E 4.5279 9.0916 121.3240 55.8948 31.3700 176.1560 19 V 4.1735 8.8523 127.7613 62.4476 31.5504 176.4062 20 V 3.9978 8.9155 130.1177 65.7124 32.2611 176.2776 21 T 4.6474 7.7132 114.4422 62.0614 73.1328 172.7554 22 A 4.8430 7.9917 125.3680 50.5546 21.4119 175.4964 23 Y 4.5194 8.7279 120.8481 55.9969 39.8943 174.2464 24 P 4.3437 0.0000 0.0000 62.4815 32.0032 176.6243 25 K 4.4064 8.5664 123.9244 56.5688 33.2394 175.8643 26 K 4.7527 9.4541 126.0455 54.7454 34.8353 174.9456 27 E 5.1996 8.8211 124.2885 55.0552 32.2331 174.9448 28 F 4.8967 8.0485 116.4630 56.8355 41.8098 172.6965 29 S 4.8397 8.9180 116.4639 57.8588 65.3285 175.5365 *34 T 4.3392 8.4446 116.7495 60.8620 70.5000 174.8454 *35 K 4.6655 7.7431 120.5646 53.9713 35.6895 180.8641 36 G 4.0374 8.5067 110.3596 43.6320 0.0000 171.1202 37 Q 5.1485 8.4109 117.1677 54.3182 34.0127 173.7694 38 L 4.8847 9.0381 122.3148 53.5421 46.1752 174.7578 39 K 4.7878 8.7929 126.6191 54.9092 35.2540 175.0517 40 S 5.1192 8.7394 123.5464 57.6650 65.0821 173.2635 41 L 5.3303 9.1196 122.5421 52.9785 46.1084 175.1703 42 F 5.1914 9.2928 124.6141 56.6669 41.4468 174.2049 43 L 5.2205 8.3419 126.5045 53.0906 44.5997 175.5388 44 K 5.0022 8.7590 122.2655 55.3420 36.5306 175.0850 45 D 4.7033 8.7228 124.5896 51.9809 42.1480 175.5191 46 D 4.6158 8.7811 117.8229 54.9308 39.4324 176.3554 47 T 4.4786 9.0431 109.3907 60.6445 70.7366 174.0293 48 G 3.9365 6.6746 107.9845 45.9822 0.0000 171.1890 49 S 4.9598 8.0663 112.3277 57.0215 66.3303 173.1378 50 I 4.3512 7.8670 119.6367 59.8596 41.8302 173.3497 51 R 4.7244 8.6423 127.8743 55.9219 31.6249 175.0730 52 G 4.5557 9.4158 113.2758 44.4743 0.0000 171.7314 53 T 4.6669 8.7376 114.1147 59.5488 71.3122 172.8687 54 L 4.7092 8.5208 127.5421 53.1068 43.5300 175.8354 55 W 5.3041 8.7767 123.3647 54.8680 32.1982 177.9270 56 N 4.0827 9.5362 121.2069 54.0694 38.5976 177.2293 57 E 4.0437 9.0982 126.0087 60.3119 29.5610 178.6018 58 L 4.1942 8.0515 118.1664 56.5183 41.7605 178.5947 59 A 4.1641 8.0396 121.1821 54.1184 18.3761 177.7523 60 D 4.8106 7.8730 114.2562 53.6546 41.3597 176.5327 61 F 4.0610 7.9565 123.2258 57.9347 39.6853 174.8154 62 E 4.0208 7.7153 125.9135 55.8933 28.6712 175.9616 63 V 4.5342 8.0071 123.1276 60.8757 34.9451 174.7499 64 K 4.6922 9.1710 124.8161 53.8015 35.6710 175.7980 65 K 4.3114 8.4077 122.4927 58.1245 32.8600 176.5968 66 G 4.1746 9.2047 113.9307 46.5041 0.0000 173.3990 67 D 4.8539 8.0615 119.5395 54.5510 42.3713 175.6004 68 I 4.8541 8.9178 123.1854 59.7926 39.1111 174.6611 69 A 5.1733 9.1616 129.1810 49.9862 22.8020 174.5914 70 E 4.6875 9.2445 121.8811 55.0062 31.0962 175.0063 71 V 4.7125 8.8527 128.6095 61.2665 34.0701 174.2801 72 S 5.1447 8.6648 124.7115 57.0391 65.7678 174.1648 73 G 4.0452 8.4307 109.3861 46.4169 0.0000 170.3929 74 Y 5.2390 8.2493 121.1131 55.8804 41.0700 175.5921 75 V 4.6466 8.4957 129.5994 62.4824 33.3521 175.5062 76 K 4.9463 9.1178 132.4021 54.4049 36.9699 172.9832 77 Q 4.8117 8.6648 117.3768 55.4546 29.0928 175.1597 78 G 3.8989 9.3755 111.1086 45.8969 0.0000 174.0961 *81 G 3.8203 7.6813 107.8083 43.6988 0.0000 172.2218 82 L 5.1409 8.0946 118.1920 53.2131 44.5541 176.3190 83 E 4.8966 9.2872 119.8919 54.9802 34.8840 173.9889 84 I 4.7756 8.6689 122.4995 59.2798 40.7548 174.3630 85 S 5.2178 9.3781 125.7177 56.9522 63.2889 173.2331 86 V 4.1953 8.5894 128.9274 63.4212 30.9845 175.2775 87 D 4.8049 9.5786 128.0533 56.0859 42.7329 176.0760 88 N 5.0026 7.7792 114.7399 52.2951 42.6367 173.1446 89 I 4.9703 7.9318 123.5949 59.5341 41.4342 174.0748 90 G 4.3667 8.7861 114.2371 44.8562 0.0000 171.2712 91 I 4.6838 8.4532 122.2739 60.4374 37.7420 175.8961 92 I 4.0254 8.9716 129.4508 63.6811 37.7642 176.2522 93 E 4.6449 7.8602 122.0958 54.1980 32.6852 174.6801 94 K 4.5669 8.8062 126.4288 56.0398 33.3000 176.7381 95 S 4.4304 9.8241 117.5463 60.7195 62.4851 174.7405 96 L 4.1736 7.8311 122.6525 55.0548 41.3115 176.7149 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 N 8.42 4.70 0.00 2.56 2.79 0.00 0.00 6.82 6.57 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 2 Y 8.93 4.84 0.00 2.96 2.76 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 3 K 9.98 4.56 0.00 1.80 1.73 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.57 7.81 4 I 9.23 3.63 1.96 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 0.88 0.00 0.00 5 S 8.00 4.25 0.00 3.99 4.17 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 0.00 0.00 0.00 0.00 6 E 8.05 4.25 0.00 2.24 2.17 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 0.00 2.36 2.33 0.00 7 L 7.12 3.76 0.00 1.61 1.47 0.84 0.76 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 *9 P 0.00 4.04 0.00 2.14 1.94 0.00 3.65 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 1.96 2.05 0.00 10 N 8.45 4.43 0.00 2.81 2.98 0.00 0.00 6.76 7.42 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 11 L 6.63 4.63 0.00 1.70 1.22 0.81 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.37 5.12 0.00 3.86 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 13 G 8.53 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 0.00 0.00 0.00 0.00 14 T 8.70 5.46 4.27 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 1.25 0.00 0.00 15 I 8.83 5.05 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.33 1.02 0.00 0.00 16 N 8.86 5.43 0.00 2.60 2.80 0.00 0.00 6.66 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 17 A 8.91 4.84 1.19 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 18 E 9.09 4.53 0.00 2.04 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 2.31 2.26 0.00 19 V 8.85 4.17 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 0.92 0.00 0.00 0.99 0.00 0.00 20 V 8.92 4.00 2.48 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 0.92 0.00 0.00 1.07 0.00 0.00 21 T 7.71 4.65 4.07 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 0.41 0.00 0.00 22 A 7.99 4.84 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 23 Y 8.73 4.52 0.00 2.87 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 24 P 0.00 4.34 0.00 2.09 2.03 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 25 K 8.57 4.41 0.00 1.79 1.73 0.00 1.89 0.00 0.00 1.95 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.61 7.81 26 K 9.45 4.75 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.59 7.81 27 E 8.82 5.20 0.00 1.86 1.81 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 2.20 2.29 0.00 28 F 8.05 4.90 0.00 3.19 3.20 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 0.00 29 S 8.92 4.84 0.00 3.92 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 *34 T 8.44 4.34 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 *35 K 7.74 4.67 0.00 1.71 1.55 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.00 7.81 36 G 8.51 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.41 5.15 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 38 L 9.04 4.88 0.00 1.73 1.57 0.80 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.79 4.79 0.00 1.77 1.58 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.71 7.81 40 S 8.74 5.12 0.00 3.90 3.80 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 41 L 9.12 5.33 0.00 1.55 1.54 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 42 F 9.29 5.19 0.00 3.22 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 43 L 8.34 5.22 0.00 1.53 1.43 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.76 5.00 0.00 1.72 1.56 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.54 7.81 45 D 8.72 4.70 0.00 2.87 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 46 D 8.78 4.62 0.00 2.81 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 47 T 9.04 4.48 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 48 G 6.67 3.94 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 0.00 0.00 0.00 49 S 8.07 4.96 0.00 3.16 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 50 I 7.87 4.35 1.76 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 1.06 1.47 0.79 0.00 0.00 51 R 8.64 4.72 0.00 2.09 1.83 0.00 3.21 0.00 0.00 3.48 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 52 G 9.42 4.56 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 0.00 0.00 0.00 53 T 8.74 4.67 3.39 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 1.14 0.00 0.00 54 L 8.52 4.71 0.00 1.63 1.62 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 W 8.78 5.30 0.00 3.33 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 56 N 9.54 4.08 0.00 2.94 1.88 0.00 0.00 6.87 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 57 E 9.10 4.04 0.00 2.16 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 2.42 2.33 0.00 58 L 8.05 4.19 0.00 1.98 1.76 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.04 4.16 1.48 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 60 D 7.87 4.81 0.00 2.87 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 61 F 7.96 4.06 0.00 3.06 3.05 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 62 E 7.72 4.02 0.00 1.93 1.80 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 1.71 1.79 0.00 63 V 8.01 4.53 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 0.92 0.00 0.00 1.34 0.00 0.00 64 K 9.17 4.69 0.00 1.83 1.61 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.30 7.81 65 K 8.41 4.31 0.00 1.67 1.69 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.68 7.81 66 G 9.20 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.06 4.85 0.00 2.76 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 68 I 8.92 4.85 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 1.17 0.72 0.92 0.00 0.00 69 A 9.16 5.17 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 70 E 9.24 4.69 0.00 2.01 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 0.00 2.23 2.44 0.00 71 V 8.85 4.71 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 0.97 0.00 0.00 0.90 0.00 0.00 72 S 8.66 5.14 0.00 3.78 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 73 G 8.43 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 74 Y 8.25 5.24 0.00 3.09 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.50 4.65 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 0.79 0.00 0.00 0.78 0.00 0.00 76 K 9.12 4.95 0.00 1.41 1.59 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.27 1.26 7.81 77 Q 8.66 4.81 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 78 G 9.38 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 0.00 0.00 0.00 *81 G 7.68 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 82 L 8.09 5.14 0.00 1.50 1.55 0.86 0.75 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 83 E 9.29 4.90 0.00 1.88 1.82 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 2.26 2.28 0.00 84 I 8.67 4.78 1.85 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 1.15 1.65 0.94 0.00 0.00 85 S 9.38 5.22 0.00 4.15 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 86 V 8.59 4.20 2.18 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 0.83 0.00 0.00 0.94 0.00 0.00 87 D 9.58 4.80 0.00 2.78 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 88 N 7.78 5.00 0.00 2.71 2.57 0.00 0.00 6.59 7.71 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 89 I 7.93 4.97 1.60 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.94 -0.10 0.00 0.00 90 G 8.79 4.37 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 0.00 91 I 8.45 4.68 1.95 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 1.52 0.94 1.00 0.00 0.00 92 I 8.97 4.03 2.00 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 1.20 0.75 0.92 0.00 0.00 93 E 7.86 4.64 0.00 1.99 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 2.27 2.33 0.00 94 K 8.81 4.57 0.00 1.79 1.72 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 95 S 9.82 4.43 0.00 3.94 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 96 L 7.83 4.17 0.00 1.67 1.57 0.91 0.79 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 * Residues marked with a * may have inaccurate shift predictions.