NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 M 4.4671 8.3044 120.2551 54.8415 34.1353 174.9066 15 R 4.4397 7.8900 117.8232 54.1197 33.9943 171.7794 16 Y 5.1460 9.3004 122.0607 56.8795 40.1941 174.9148 17 R 4.6991 9.0033 121.7305 54.4466 34.4830 173.9099 18 Q 4.8699 8.7320 124.4070 54.8776 30.5923 174.4959 19 I 4.4960 8.9005 127.5450 59.8448 40.2600 174.4520 20 T 4.8871 8.5486 123.9885 62.0705 70.2227 174.1855 21 I 4.6907 9.2462 128.2399 58.7375 40.1403 173.2924 22 P 4.9563 0.0000 0.0000 62.2374 32.4876 176.0547 23 R 3.3076 9.0139 124.0960 56.2699 30.5511 177.0237 24 G 3.8933 8.6466 118.7328 45.0564 0.0000 173.7743 25 K 4.0551 8.7970 122.1923 57.9369 31.7249 174.4901 26 D 4.9438 7.9662 117.2156 52.5604 41.3555 179.0032 27 G 3.7568 8.0581 107.9277 45.7952 0.0000 175.1805 28 F 4.7205 8.7438 116.7182 56.8927 40.7106 175.2161 29 G 4.5214 9.2254 108.5738 46.2229 0.0000 172.1995 30 F 5.3026 7.3387 110.2219 56.3511 40.9369 174.3846 31 T 4.8301 9.1810 116.5028 61.7348 71.9843 173.2642 32 I 5.3882 8.1980 116.3077 59.7180 41.0554 173.9962 33 C 4.7244 9.0798 116.6888 58.5418 32.9176 174.0681 34 C 4.2705 9.0630 113.5196 60.1490 26.7110 171.9947 35 D 4.9247 8.1020 119.4268 53.8897 43.8556 176.4176 36 S 4.5070 9.0916 116.9847 58.0588 60.4000 169.9669 37 P 4.8884 0.0000 0.0000 61.6749 33.6731 177.1670 38 V 4.3303 8.1649 119.8965 61.8061 33.1324 174.5137 39 R 5.0549 8.8593 126.8876 54.2683 33.5794 174.8137 40 V 4.1932 8.8795 125.6194 63.2162 31.9137 176.3596 41 Q 4.1589 9.1672 130.4245 58.8282 29.5705 175.4079 42 A 4.6962 7.6637 117.7508 51.1076 22.7922 174.9677 43 V 4.9215 8.1836 118.1949 61.2001 35.0320 174.6315 44 D 4.7128 8.9878 127.4880 53.4753 42.0679 176.3385 45 S 4.5118 8.1778 119.5206 59.6409 63.2405 174.3988 46 G 4.0353 9.5806 114.9889 45.9084 0.0000 174.3503 47 G 3.9075 7.8981 106.5110 43.4252 0.0000 172.7697 48 P 4.3205 0.0000 0.0000 65.6619 31.2879 178.8719 49 A 3.9846 8.2592 119.4525 55.1407 17.7348 179.2585 50 E 3.8506 8.1651 117.3001 59.5352 29.5995 178.8652 51 R 4.0041 7.6052 116.7166 58.9561 30.2728 177.9364 52 A 4.1766 8.1503 120.1403 53.3380 18.3610 178.2129 53 G 4.0013 7.4389 104.9086 45.0749 0.0000 173.8756 54 L 4.0764 7.6726 121.4758 54.9771 42.8407 175.8825 55 Q 4.6007 8.7070 120.6074 54.1976 31.7429 174.0262 56 Q 4.2491 8.3885 116.7156 57.9770 28.6859 177.3955 57 L 3.8233 8.5706 118.4599 54.9134 40.7644 174.6568 58 D 4.5790 7.7720 119.9349 54.7888 41.9085 175.3052 59 T 4.8263 8.7110 120.6839 61.9429 70.7072 173.9290 60 V 4.1580 8.6194 127.6452 62.4717 31.6440 175.3971 61 L 4.5726 9.0299 128.1727 55.7452 44.1273 176.4242 62 Q 4.8022 7.6685 118.8024 54.4136 32.9049 172.9932 63 L 4.7977 8.8445 127.9994 53.5675 44.8876 176.1801 64 N 4.0488 9.6207 128.1406 55.2292 36.6145 174.7760 65 E 3.8079 8.1408 105.9600 56.7102 27.8627 176.0351 66 R 4.6227 7.7453 119.0699 54.0407 32.6632 173.6978 67 P 4.6650 0.0000 0.0000 63.2976 31.8576 176.4309 68 V 3.4774 8.4532 115.3365 60.6022 33.0244 177.6411 69 E 3.9966 8.4022 123.1483 59.3944 29.3859 178.0806 70 H 4.8696 8.3658 111.2073 55.2248 29.4956 175.0807 71 W 4.6515 7.9617 121.4017 56.1724 30.1130 176.1991 72 K 4.5853 8.7522 121.1816 55.8838 33.5208 177.8436 73 C 3.9223 9.6244 122.9179 63.2874 31.3354 176.8472 74 V 3.6198 7.7997 118.6366 65.7740 31.1717 177.7031 75 E 3.9439 8.1181 118.2992 59.0220 29.3177 178.7196 76 L 4.3602 8.3264 120.2970 58.2251 42.3692 178.6501 77 A 4.0042 8.3321 120.9910 55.6452 18.0449 179.1492 78 H 4.1263 7.9199 115.3854 59.3336 30.1184 176.8632 79 E 4.1842 8.3004 120.7279 59.4346 29.6175 178.8014 80 I 3.7292 8.2240 120.2432 64.5087 36.9139 178.6602 81 R 4.1409 7.8641 117.8230 58.6013 29.9619 178.3287 82 S 4.6017 7.6236 112.1584 58.2712 63.5685 173.8911 83 C 4.4556 7.5698 121.4800 58.6934 28.0460 171.7944 84 P 4.4516 0.0000 0.0000 64.8992 31.7584 176.5422 85 S 4.8094 8.0473 112.8624 59.1861 64.6334 174.0285 86 E 5.5549 7.9913 114.9642 55.2301 32.7950 173.3159 87 I 4.8690 8.7760 112.8433 59.1356 41.5316 174.2591 88 I 4.8110 8.7047 124.0674 59.6840 40.0326 174.3663 89 L 4.9259 8.9670 127.9009 52.9848 43.9924 175.2488 90 L 4.9727 8.5890 125.9738 53.8278 43.7406 175.5388 91 V 4.9866 9.0595 121.9309 59.9310 35.7703 175.2090 *92 W 4.6964 8.9479 127.2855 55.8949 29.9305 174.8846 93 R 4.7455 9.2395 125.3147 53.6771 33.1867 173.4058 94 M 4.7415 8.7234 125.8211 54.8580 33.7294 175.9367 95 V 3.6952 8.4546 124.8058 62.0115 31.8973 171.1763 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 14 M 8.30 4.47 0.00 1.86 2.22 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 15 R 7.89 4.44 0.00 1.80 1.65 0.00 3.09 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.70 0.00 16 Y 9.30 5.15 0.00 2.86 2.81 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 0.00 0.00 0.00 17 R 9.00 4.70 0.00 1.65 1.75 0.00 3.27 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 18 Q 8.73 4.87 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 19 I 8.90 4.50 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.86 0.00 0.00 20 T 8.55 4.89 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 21 I 9.25 4.69 1.97 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 1.20 0.00 0.00 22 P 0.00 4.96 0.00 2.11 2.09 0.00 3.85 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 23 R 9.01 3.31 0.00 1.09 1.85 0.00 3.31 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 0.00 24 G 8.65 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 25 K 8.80 4.06 0.00 1.79 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.00 7.81 26 D 7.97 4.94 0.00 2.68 2.55 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 0.00 0.00 0.00 0.00 27 G 8.06 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 28 F 8.74 4.72 0.00 3.33 3.42 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 29 G 9.23 4.52 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 0.00 0.00 0.00 30 F 7.34 5.30 0.00 3.23 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 31 T 9.18 4.83 4.29 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 1.23 0.00 0.00 32 I 8.20 5.39 1.95 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 1.37 0.68 1.18 0.00 0.00 33 C 9.08 4.72 0.00 2.99 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 34 C 9.06 4.27 0.00 3.22 3.10 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 0.00 0.00 0.00 35 D 8.10 4.92 0.00 2.64 2.57 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 0.00 0.00 0.00 0.00 36 S 9.09 4.51 0.00 3.97 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 37 P 0.00 4.89 0.00 2.08 2.07 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 38 V 8.16 4.33 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 1.31 0.00 0.00 1.15 0.00 0.00 39 R 8.86 5.05 0.00 1.89 1.84 0.00 3.14 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 40 V 8.88 4.19 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 0.96 0.00 0.00 0.88 0.00 0.00 41 Q 9.17 4.16 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.41 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 42 A 7.66 4.70 1.25 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 0.00 0.00 0.00 43 V 8.18 4.92 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 0.96 0.00 0.00 44 D 8.99 4.71 0.00 2.71 2.61 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 45 S 8.18 4.51 0.00 3.87 3.84 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 0.00 0.00 0.00 46 G 9.58 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 47 G 7.90 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 0.00 0.00 0.00 48 P 0.00 4.32 0.00 2.50 2.35 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 49 A 8.26 3.98 1.49 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 50 E 8.17 3.85 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 2.39 2.38 0.00 51 R 7.61 4.00 0.00 1.87 1.95 0.00 3.33 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 52 A 8.15 4.18 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 53 G 7.44 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 54 L 7.67 4.08 0.00 1.63 1.42 0.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.71 4.60 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 56 Q 8.39 4.25 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 5.89 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 57 L 8.57 3.82 0.00 1.85 1.89 0.91 0.83 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 58 D 7.77 4.58 0.00 2.64 2.54 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 0.00 0.00 0.00 0.00 59 T 8.71 4.83 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 1.21 0.00 0.00 60 V 8.62 4.16 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 0.65 0.00 0.00 0.92 0.00 0.00 61 L 9.03 4.57 0.00 1.62 1.86 1.14 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.67 4.80 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 63 L 8.84 4.80 0.00 1.48 1.14 0.80 0.56 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 64 N 9.62 4.05 0.00 2.79 2.79 0.00 0.00 6.98 7.58 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 65 E 8.14 3.81 0.00 2.15 1.91 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 2.12 1.88 0.00 66 R 7.75 4.62 0.00 1.76 1.76 0.00 3.10 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 67 P 0.00 4.67 0.00 2.24 2.03 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 68 V 8.45 3.48 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 -0.58 0.00 0.00 0.69 0.00 0.00 69 E 8.40 4.00 0.00 2.14 2.05 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 2.43 2.37 0.00 70 H 8.37 4.87 0.00 3.38 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 W 7.96 4.65 0.00 3.50 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 72 K 8.75 4.59 0.00 1.78 1.83 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 73 C 9.62 3.92 0.00 3.27 2.99 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 74 V 7.80 3.62 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 1.00 0.00 0.00 0.94 0.00 0.00 75 E 8.12 3.94 0.00 2.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 76 L 8.33 4.36 0.00 2.01 1.96 0.82 1.24 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 77 A 8.33 4.00 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 78 H 7.92 4.13 0.00 3.21 3.52 0.00 5.96 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.30 4.18 0.00 2.51 2.36 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 2.54 2.50 0.00 80 I 8.22 3.73 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.85 0.89 0.00 0.00 81 R 7.86 4.14 0.00 1.96 2.00 0.00 3.16 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 82 S 7.62 4.60 0.00 4.00 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 83 C 7.57 4.46 0.00 3.30 3.06 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 0.00 0.00 0.00 84 P 0.00 4.45 0.00 2.20 2.20 0.00 3.79 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 85 S 8.05 4.81 0.00 3.82 3.93 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 86 E 7.99 5.55 0.00 2.13 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 2.23 2.35 0.00 87 I 8.78 4.87 1.66 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.64 0.66 0.00 0.00 88 I 8.70 4.81 1.82 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 1.21 0.69 0.87 0.00 0.00 89 L 8.97 4.93 0.00 1.39 1.44 0.57 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.59 4.97 0.00 1.72 1.49 0.89 0.64 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 91 V 9.06 4.99 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 0.56 0.00 0.00 0.92 0.00 0.00 *92 W 8.95 4.70 0.00 2.15 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 0.00 0.00 0.00 93 R 9.24 4.75 0.00 1.73 1.68 0.00 3.00 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 94 M 8.72 4.74 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 95 V 8.45 3.70 2.05 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 0.72 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.