NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2983 8.2993 120.1340 56.1797 33.7087 175.5934 3 T 3.9339 8.2047 113.8072 60.3008 69.1987 172.6194 4 P 4.2537 0.0000 0.0000 66.1644 31.9433 180.0209 5 E 4.0362 8.1573 115.8684 58.9018 29.5344 177.9628 6 D 4.7066 7.7720 116.0769 53.4704 41.6515 176.5785 7 C 4.4189 7.3273 118.3892 60.1017 28.4714 173.6006 8 T 4.4084 8.6184 113.8172 60.9542 68.8257 174.2576 9 G 3.9683 7.3329 107.8690 43.2848 0.0000 174.0766 10 L 4.0702 8.1942 119.5666 57.7465 41.3939 179.9257 11 A 3.9777 7.9051 120.2605 55.1098 18.4338 179.0148 12 D 4.3132 8.1026 116.9351 57.6938 40.8543 179.1158 13 I 3.7048 7.3760 118.6851 64.5001 37.0711 178.6335 14 R 3.9181 8.2663 119.2000 59.4949 29.8135 179.0712 15 E 3.9707 8.3025 118.0701 59.1763 29.3542 179.1574 16 A 3.9869 8.1490 120.9219 55.2777 18.3807 179.8097 17 I 3.6730 8.0969 118.5574 64.4180 37.1781 178.2601 18 D 4.3480 8.4074 120.1678 57.5444 40.7505 178.9201 19 R 3.9132 8.2272 119.2083 59.5441 30.0647 178.6184 20 I 3.7544 8.1196 119.9253 64.4980 37.0506 178.2146 21 D 4.3798 8.3547 119.9434 57.0849 40.5812 178.5724 22 L 3.9273 8.0477 120.9078 58.2012 42.0533 178.4303 23 D 4.4203 8.1063 118.8654 57.7236 40.7183 179.2338 24 I 3.6887 7.7929 119.8141 64.3130 37.0833 178.5864 25 V 3.5767 7.9143 119.0582 66.3271 31.3974 178.1216 26 Q 4.0130 8.5701 117.8683 58.8310 28.3969 178.7020 27 A 4.0675 8.3408 122.1133 55.1987 18.3005 179.7090 28 L 4.1558 8.4324 117.9482 57.6373 41.3227 180.0401 29 G 3.6767 8.3151 105.9413 48.0634 0.0000 176.0357 30 R 4.2981 8.2301 121.2956 58.7662 30.0796 178.9336 31 R 4.0895 8.5582 118.9721 59.9769 30.0146 178.2447 32 M 4.4294 8.3506 117.8906 58.7008 32.2230 177.7643 33 D 4.4151 7.9222 117.8363 57.8231 40.9888 178.6160 34 Y 4.0950 8.0165 116.6014 61.0280 37.7425 178.4435 35 V 3.7109 8.2566 119.2630 66.0991 31.3495 178.3018 36 K 4.2999 8.6734 119.3709 58.8098 31.3868 179.2337 37 A 4.0030 8.2544 120.9991 55.0338 18.2491 179.5497 38 A 4.1583 8.2196 119.5172 55.2800 18.3832 180.0694 39 S 3.6685 7.4147 113.9347 61.2595 62.3435 176.9835 40 R 3.8292 6.8324 119.8864 59.2281 29.8549 178.8453 41 F 4.2781 7.4701 115.2799 60.4308 39.0295 177.5422 42 K 4.1392 7.8962 116.8690 59.2386 31.9215 180.2154 43 A 4.1823 7.7630 119.3607 51.9949 18.7497 178.4955 *56 A 4.2854 8.0006 125.1992 54.1812 20.8760 180.1551 57 M 3.9525 7.8422 114.8585 58.3519 32.0395 178.8564 58 L 3.8154 7.6506 118.5225 57.4418 41.9420 177.7151 59 P 4.1313 0.0000 0.0000 65.2358 31.2084 178.2975 60 E 3.4331 7.3744 116.9722 59.2273 29.5115 179.2286 61 R 3.2895 7.2318 117.5504 58.4555 29.9024 178.9622 62 A 3.9524 7.8459 120.9950 55.0671 18.3597 179.7245 63 R 3.8250 7.7112 116.5162 59.3926 30.0888 179.2386 64 W 4.4400 7.9424 118.3113 59.7357 28.9196 178.3641 65 A 4.0930 8.2011 120.6009 55.4228 17.8936 179.5022 66 E 3.9642 8.2287 117.0126 59.7427 29.3173 179.5064 67 E 4.1144 8.3523 117.5361 58.7200 29.4709 178.1612 68 N 4.9347 7.6765 114.1213 52.2089 39.0958 174.9355 69 G 3.9195 7.9574 107.6250 46.8476 0.0000 174.1056 70 L 4.7530 7.9520 118.3459 51.9415 44.7385 176.7883 71 D 4.4290 8.5734 119.6024 54.2339 41.9153 176.8163 72 A 4.0305 8.6580 129.6326 54.9347 18.5678 177.1512 73 P 4.2422 0.0000 0.0000 65.6392 31.4108 178.4505 74 F 4.1925 8.6075 119.4210 61.4476 39.3180 177.4479 75 V 3.3866 7.8460 117.5470 65.8395 31.2877 177.3870 76 E 4.0795 8.8393 119.6578 59.2811 29.4555 179.0192 77 G 3.5755 8.3033 105.9658 47.8687 0.0000 175.4886 78 L 3.7655 7.3968 121.8079 57.5255 41.5199 179.7881 79 F 4.0622 8.2302 117.0830 59.7630 38.7953 177.7120 80 A 3.9452 8.2942 121.1808 55.3460 18.2075 179.6421 81 Q 4.0494 7.8805 115.9338 59.1436 28.7785 179.2373 82 I 3.8223 7.7079 120.7085 64.5206 37.1921 178.5666 83 I 3.7689 8.0945 120.9413 64.8620 36.9235 178.3183 84 H 4.3833 8.1733 117.0245 58.4142 28.4733 177.6548 85 W 4.0924 8.4998 130.2638 60.9379 30.4244 177.6761 86 Y 4.1492 8.6471 115.2280 61.2905 37.4508 178.5695 87 T 4.0994 8.3769 116.4727 66.8085 68.2424 176.6104 88 A 3.9462 8.1983 122.5694 54.9524 18.1684 179.2402 89 E 3.5834 8.2102 118.1002 59.4919 29.5424 179.0266 90 Q 4.4983 8.0416 118.2848 59.2753 28.5980 178.6723 91 I 3.7546 7.2198 119.4725 64.5701 37.1544 178.2316 92 K 3.7834 7.5544 118.0420 58.4762 31.6899 177.3227 93 Y 4.1756 7.6541 116.9932 58.4767 40.3133 176.3086 *94 W 4.6994 8.2418 123.8134 56.5133 29.4765 178.7732 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 2 K 8.30 4.30 0.00 1.76 1.83 0.00 1.72 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 3 T 8.20 3.93 4.38 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 1.21 0.00 0.00 4 P 0.00 4.25 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 5 E 8.16 4.04 0.00 1.91 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 2.31 2.46 0.00 6 D 7.77 4.71 0.00 2.77 2.70 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 7 C 7.33 4.42 0.00 3.13 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 8 T 8.62 4.41 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 9 G 7.33 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.19 4.07 0.00 1.70 1.75 0.92 0.89 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 11 A 7.91 3.98 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 12 D 8.10 4.31 0.00 2.87 2.74 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 0.00 0.00 0.00 13 I 7.38 3.70 2.02 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 0.70 0.91 0.00 0.00 14 R 8.27 3.92 0.00 1.95 1.98 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 15 E 8.30 3.97 0.00 2.00 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 2.49 2.47 0.00 16 A 8.15 3.99 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 8.10 3.67 2.07 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 1.53 0.63 0.91 0.00 0.00 18 D 8.41 4.35 0.00 2.84 2.72 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 19 R 8.23 3.91 0.00 1.98 2.08 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 20 I 8.12 3.75 1.93 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 1.53 0.72 0.92 0.00 0.00 21 D 8.35 4.38 0.00 2.88 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 22 L 8.05 3.93 0.00 1.86 1.83 0.93 1.02 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 23 D 8.11 4.42 0.00 2.99 2.74 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 0.00 0.00 0.00 24 I 7.79 3.69 2.05 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 1.42 0.84 0.89 0.00 0.00 25 V 7.91 3.58 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 1.11 0.00 0.00 0.98 0.00 0.00 26 Q 8.57 4.01 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 27 A 8.34 4.07 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 28 L 8.43 4.16 0.00 1.96 1.89 0.89 1.18 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 29 G 8.32 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 30 R 8.23 4.30 0.00 2.15 2.23 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 31 R 8.56 4.09 0.00 2.16 2.26 0.00 2.90 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 32 M 8.35 4.43 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.63 0.00 33 D 7.92 4.42 0.00 2.79 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.02 4.09 0.00 3.21 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 35 V 8.26 3.71 2.41 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 1.28 0.00 0.00 1.18 0.00 0.00 36 K 8.67 4.30 0.00 2.11 2.05 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.76 1.64 7.81 37 A 8.25 4.00 1.47 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 0.00 0.00 0.00 38 A 8.22 4.16 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 39 S 7.41 3.67 0.00 2.72 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 40 R 6.83 3.83 0.00 1.61 1.78 0.00 3.12 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 41 F 7.47 4.28 0.00 3.05 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 42 K 7.90 4.14 0.00 1.79 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.63 7.81 43 A 7.76 4.18 1.50 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 0.00 0.00 *56 A 8.00 4.29 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 57 M 7.84 3.95 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 58 L 7.65 3.82 0.00 1.61 1.79 0.92 1.14 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 59 P 0.00 4.13 0.00 2.02 2.01 0.00 3.54 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 60 E 7.37 3.43 0.00 1.86 1.52 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 1.47 1.87 0.00 61 R 7.23 3.29 0.00 1.59 1.50 0.00 2.91 0.00 0.00 2.41 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.65 0.00 62 A 7.85 3.95 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 63 R 7.71 3.82 0.00 1.87 2.00 0.00 3.05 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 64 W 7.94 4.44 0.00 3.47 3.04 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 65 A 8.20 4.09 1.50 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 0.00 0.00 66 E 8.23 3.96 0.00 2.24 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 0.00 2.36 2.54 0.00 67 E 8.35 4.11 0.00 2.24 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 0.00 2.40 2.57 0.00 68 N 7.68 4.93 0.00 2.71 2.85 0.00 0.00 7.01 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.96 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 70 L 7.95 4.75 0.00 1.85 1.69 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.57 4.43 0.00 2.83 2.70 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 72 A 8.66 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 73 P 0.00 4.24 0.00 2.24 2.16 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 74 F 8.61 4.19 0.00 3.18 3.29 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 75 V 7.85 3.39 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 1.19 0.00 0.00 1.18 0.00 0.00 76 E 8.84 4.08 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 77 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 3.77 0.00 1.49 1.26 0.59 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.23 4.06 0.00 3.06 3.04 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 80 A 8.29 3.95 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 81 Q 7.88 4.05 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 82 I 7.71 3.82 1.75 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.65 0.64 0.00 0.00 83 I 8.09 3.77 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 1.53 0.91 0.91 0.00 0.00 84 H 8.17 4.38 0.00 3.32 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.50 4.09 0.00 3.70 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 4.15 0.00 3.08 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 87 T 8.38 4.10 4.50 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 1.27 0.00 0.00 88 A 8.20 3.95 1.22 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 89 E 8.21 3.58 0.00 1.99 2.16 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 2.37 2.61 0.00 90 Q 8.04 4.50 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.78 2.62 0.00 91 I 7.22 3.75 1.98 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 1.72 0.73 0.87 0.00 0.00 92 K 7.55 3.78 0.00 0.79 0.81 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.16 1.19 7.81 93 Y 7.65 4.18 0.00 1.66 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 0.00 0.00 0.00 *94 W 8.24 4.70 0.00 3.29 2.93 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 * Residues marked with a * may have inaccurate shift predictions.