NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 F 4.6971 8.3244 115.8813 56.6316 39.1724 173.7716 -1 Q 4.0871 8.9167 122.4628 54.6012 30.5840 173.9929 0 G 4.2480 8.4723 119.5905 46.3192 0.0000 173.3909 0 I 4.4580 8.1423 130.6905 62.3192 37.3837 174.8909 3 Q 4.9087 8.5919 121.7137 53.9911 31.6072 174.7163 4 E 4.4579 9.2822 126.0723 56.1068 31.2755 175.2742 5 I 4.8229 9.0147 127.7620 59.5538 39.8965 174.3602 6 A 5.0246 8.8853 130.1784 50.2605 21.3398 175.3262 7 S 4.9129 9.1864 120.3632 58.2211 64.4026 173.6379 8 I 4.5390 8.9611 126.7136 59.2014 40.0241 174.4989 9 L 5.0390 8.2241 127.9336 53.3561 44.1473 175.0077 10 V 4.5422 8.5620 127.2317 61.4959 32.9052 175.7020 11 Q 4.1651 8.7998 126.3102 55.5078 29.8576 174.6927 12 P 4.2824 0.0000 0.0000 64.5514 31.7123 176.9975 13 G 3.9869 8.6712 110.8377 46.2090 0.0000 174.5245 14 R 4.5587 8.0827 118.2934 56.0882 30.2623 177.8699 15 E 4.1411 8.1077 121.0112 59.6161 29.5598 178.9071 16 A 4.0502 8.0480 120.3265 55.3270 18.4624 179.2218 17 D 4.2748 8.1093 116.9559 57.2767 40.9115 178.7248 18 F 4.0904 8.2396 121.1329 61.2671 39.4645 176.7859 19 E 3.5601 8.3252 118.3366 59.5036 29.3386 179.2198 20 A 4.0307 8.1385 120.6007 55.2638 18.4937 179.9034 21 G 3.3635 8.0344 104.0098 47.9233 0.0000 176.0055 22 V 3.7322 7.7884 121.1264 65.5700 31.2364 177.8911 23 A 3.9755 7.8018 119.5612 55.3177 18.3103 179.1698 24 Q 4.0345 8.0205 116.6802 58.6474 29.4210 177.3717 25 A 4.5072 7.9318 120.5504 53.4120 19.0042 179.2002 26 R 4.0005 8.0375 117.5055 59.4677 29.9983 177.0425 27 P 4.2942 0.0000 0.0000 65.4061 31.3048 178.1213 28 L 4.2924 7.8421 117.3247 57.8418 41.7969 179.6025 29 F 4.2007 7.9084 115.5696 58.0000 38.0036 177.0663 *31 R 4.2236 7.9886 115.9200 55.2966 31.3359 175.4957 32 A 4.2602 8.1355 123.4215 51.7485 19.0292 176.9545 33 R 4.0502 8.7831 121.4401 58.1232 30.4275 176.7994 34 G 4.0749 8.9767 111.7156 46.2339 0.0000 171.7241 35 C 4.3291 7.8362 120.0203 58.7120 31.8755 173.1507 36 H 4.8042 9.7383 125.0060 53.0521 29.5666 173.1368 37 G 4.1675 6.7184 110.5166 44.6381 0.0000 172.5416 38 V 4.5438 7.5303 121.4991 60.8456 34.3502 174.2305 39 A 4.7393 9.0146 129.1832 49.8925 22.7237 174.0843 40 L 5.1440 8.4499 122.1038 53.6055 44.4386 175.2802 41 H 5.1473 9.5059 123.0156 53.9388 32.6440 172.5935 42 R 4.6721 8.3803 120.7777 54.1076 32.4572 175.1716 43 S 4.1372 8.8328 121.9453 58.6829 62.9712 175.1933 44 I 3.8605 8.4369 127.9620 64.4395 37.2830 177.3908 45 E 4.0984 8.1178 118.1003 58.3651 29.8446 176.7583 46 A 4.6032 7.7321 121.1305 49.0769 18.8309 174.4123 47 P 4.5130 0.0000 0.0000 64.1854 31.9822 177.8016 48 Q 4.3018 8.0705 116.0486 56.9263 29.2965 175.0829 49 R 5.1856 8.3079 118.7677 54.7902 32.6180 174.9923 50 Y 5.2828 8.9643 119.3637 56.6772 43.1883 174.4235 51 T 5.1392 9.1256 117.4531 61.8774 72.1758 172.9579 52 L 4.7584 9.0402 129.8894 54.2318 43.7884 175.3321 53 V 4.6762 8.9043 126.8250 61.1433 34.0409 174.1479 54 V 4.3753 8.3395 128.0525 60.9702 34.3914 173.8398 55 D 5.0847 8.6606 128.3363 53.1991 41.9764 175.5201 56 W 5.3240 8.4937 122.9194 54.8615 31.9151 175.7106 57 E 4.3517 9.3980 123.8019 59.1869 29.3169 177.4767 58 T 4.7201 7.9060 106.1974 59.3057 72.2054 173.8662 59 V 3.5480 8.2647 121.9055 66.0916 31.9323 178.0887 60 D 4.2547 7.9532 119.2888 57.1395 40.1555 178.0870 61 N 4.6490 8.1233 118.6123 55.8080 38.6327 175.8855 62 H 3.1522 7.0482 117.0120 57.0190 29.6931 176.6083 *64 V 3.8974 7.5918 118.9135 63.8079 33.4444 176.9335 65 D 4.2387 8.4008 118.9973 57.4201 40.8618 178.8115 66 F 4.1070 8.0058 120.9351 61.4314 39.2194 177.4728 67 R 3.3141 7.5138 116.1481 58.4632 29.8303 178.0385 68 Q 4.3492 7.6443 115.6200 55.0540 29.4182 175.7378 69 S 4.6032 7.0837 115.7171 56.6963 65.0307 175.2862 70 A 4.0375 8.3261 122.9458 55.1346 18.0259 179.8299 71 D 4.3778 7.6921 116.8358 57.1461 40.8115 178.5433 72 F 4.1706 7.5757 121.4169 61.3578 39.2779 177.2072 73 Q 3.7335 7.8936 117.1954 58.6988 28.4445 178.2185 74 E 3.9272 8.0684 120.4544 58.6175 29.7200 178.3023 75 W 4.3700 8.6542 128.9975 60.9492 30.8012 178.2646 76 R 3.6852 8.0118 117.6707 58.9532 29.1782 179.1884 77 K 3.8821 7.6695 117.6934 59.3308 32.0499 179.0520 78 L 4.0655 7.7162 118.6105 56.8909 41.8851 178.2939 79 V 4.0426 7.3140 109.4126 60.4183 34.1772 177.7162 80 G 3.2795 7.6935 111.9913 49.1700 0.0000 176.1709 81 E 4.0603 7.6890 113.8488 57.9502 30.1401 179.5746 82 C 4.3336 7.9213 115.0086 62.6362 28.5663 174.1530 83 F 4.8967 7.4397 117.8436 57.4521 38.9802 175.3326 84 A 4.2933 8.9926 128.2197 54.3528 18.8744 176.9993 85 E 4.7246 7.5750 110.9131 54.4283 32.3691 172.8568 86 P 4.3349 0.0000 0.0000 61.8200 31.8210 175.0341 87 P 4.4023 0.0000 0.0000 62.9726 32.3789 175.8020 88 Q 4.3761 8.6459 122.2994 55.1955 29.9634 174.9285 89 V 5.0024 8.4670 124.4736 61.3360 34.0527 174.0076 90 H 5.1194 9.0768 122.1304 54.4669 32.6911 171.3738 91 H 5.4550 8.8355 114.0659 54.1698 31.9951 173.1808 92 E 4.9405 9.5369 119.9624 54.7126 34.1577 174.3072 93 Q 4.8971 8.4832 121.0153 54.0702 32.4044 174.6247 94 K 4.1994 8.9600 126.8864 56.3290 32.7100 176.5025 95 V 3.9523 8.4622 126.2101 64.6248 32.3370 175.5086 96 L 4.1548 7.5163 122.8089 55.0576 42.5654 175.3953 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 F 8.32 4.70 0.00 3.19 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.92 4.09 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.29 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 0 G 8.47 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 0.00 0.00 0.00 0.00 0 I 8.14 4.46 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 1.47 0.59 0.91 0.00 0.00 3 Q 8.59 4.91 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.05 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 4 E 9.28 4.46 0.00 2.23 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 2.24 2.18 0.00 5 I 9.01 4.82 1.51 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 0.99 0.68 0.90 0.00 0.00 6 A 8.89 5.02 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 7 S 9.19 4.91 0.00 3.76 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.96 4.54 1.90 0.00 0.00 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 1.00 1.04 0.51 0.00 0.00 9 L 8.22 5.04 0.00 1.72 1.47 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.56 4.54 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 0.87 0.00 0.00 0.41 0.00 0.00 11 Q 8.80 4.17 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 12 P 0.00 4.28 0.00 2.05 2.03 0.00 3.72 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 2.05 2.12 0.00 13 G 8.67 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 0.00 0.00 0.00 14 R 8.08 4.56 0.00 1.95 1.95 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 15 E 8.11 4.14 0.00 2.20 2.29 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 2.65 2.70 0.00 16 A 8.05 4.05 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 17 D 8.11 4.27 0.00 2.92 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 18 F 8.24 4.09 0.00 3.08 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 19 E 8.33 3.56 0.00 2.02 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 2.36 2.49 0.00 20 A 8.14 4.03 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 21 G 8.03 3.36 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 22 V 7.79 3.73 1.75 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 1.05 0.00 0.00 0.16 0.00 0.00 23 A 7.80 3.98 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 24 Q 8.02 4.03 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 25 A 7.93 4.51 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 0.00 0.00 0.00 0.00 0.00 26 R 8.04 4.00 0.00 2.12 2.05 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.92 0.00 27 P 0.00 4.29 0.00 2.07 2.16 0.00 3.86 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 2.07 2.21 0.00 28 L 7.84 4.29 0.00 1.92 1.85 1.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 29 F 7.91 4.20 0.00 3.03 2.66 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 0.00 0.00 0.00 0.00 *31 R 7.99 4.22 0.00 1.97 2.12 0.00 3.07 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 32 A 8.14 4.26 1.71 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 0.00 0.00 33 R 8.78 4.05 0.00 1.86 2.01 0.00 3.37 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 34 G 8.98 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 0.00 0.00 0.00 0.00 35 C 7.84 4.33 0.00 2.48 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 36 H 9.74 4.80 0.00 3.07 3.18 0.00 5.80 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 37 G 6.72 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 38 V 7.53 4.54 1.86 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 0.29 0.00 0.00 0.49 0.00 0.00 39 A 9.01 4.74 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.45 5.14 0.00 1.59 1.53 1.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.51 5.15 0.00 3.12 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.38 4.67 0.00 1.66 1.68 0.00 3.14 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 43 S 8.83 4.14 0.00 3.85 3.86 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 44 I 8.44 3.86 1.85 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 1.40 0.62 0.90 0.00 0.00 45 E 8.12 4.10 0.00 1.92 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 2.30 2.35 0.00 46 A 7.73 4.60 1.21 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 0.00 0.00 0.00 47 P 0.00 4.51 0.00 2.03 2.08 0.00 3.71 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 48 Q 8.07 4.30 0.00 2.13 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.89 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 49 R 8.31 5.19 0.00 1.75 1.81 0.00 3.05 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 50 Y 8.96 5.28 0.00 3.00 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 51 T 9.13 5.14 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 1.24 0.00 0.00 52 L 9.04 4.76 0.00 1.91 1.55 0.92 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.90 4.68 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 0.93 0.00 0.00 0.94 0.00 0.00 54 V 8.34 4.38 2.02 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 -0.15 0.00 0.00 0.28 0.00 0.00 55 D 8.66 5.08 0.00 2.37 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 0.00 0.00 0.00 0.00 56 W 8.49 5.32 0.00 3.09 3.15 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 57 E 9.40 4.35 0.00 2.22 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 2.39 2.55 0.00 58 T 7.91 4.72 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 59 V 8.26 3.55 1.95 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 0.67 0.00 0.00 0.82 0.00 0.00 60 D 7.95 4.25 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.65 0.00 3.04 3.20 0.00 0.00 6.54 7.77 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 62 H 7.05 3.15 0.00 1.40 2.74 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *64 V 7.59 3.90 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 0.92 0.00 0.00 0.89 0.00 0.00 65 D 8.40 4.24 0.00 2.91 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 66 F 8.01 4.11 0.00 3.00 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 67 R 7.51 3.31 0.00 1.61 1.72 0.00 2.94 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 68 Q 7.64 4.35 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 69 S 7.08 4.60 0.00 3.97 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 70 A 8.33 4.04 1.32 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 0.00 0.00 71 D 7.69 4.38 0.00 2.82 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 72 F 7.58 4.17 0.00 2.13 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 73 Q 7.89 3.73 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 74 E 8.07 3.93 0.00 2.11 2.15 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 2.34 2.40 0.00 75 W 8.65 4.37 0.00 3.55 3.47 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 76 R 8.01 3.69 0.00 1.58 1.77 0.00 3.31 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 77 K 7.67 3.88 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.47 7.81 78 L 7.72 4.07 0.00 1.65 1.54 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.31 4.04 1.75 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 0.13 0.00 0.00 -0.45 0.00 0.00 80 G 7.69 3.28 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 0.00 0.00 0.00 0.00 81 E 7.69 4.06 0.00 2.00 1.88 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 2.23 1.90 0.00 82 C 7.92 4.33 0.00 2.99 2.97 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 83 F 7.44 4.90 0.00 3.13 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 84 A 8.99 4.29 1.32 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 0.00 0.00 85 E 7.57 4.72 0.00 2.05 1.92 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 2.17 2.29 0.00 86 P 0.00 4.33 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 87 P 0.00 4.40 0.00 1.90 1.94 0.00 3.60 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.18 0.00 88 Q 8.65 4.38 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 89 V 8.47 5.00 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 0.84 0.00 0.00 1.05 0.00 0.00 90 H 9.08 5.12 0.00 3.19 3.34 0.00 5.25 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 8.84 5.46 0.00 3.00 3.24 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 9.54 4.94 0.00 1.84 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 2.31 2.26 0.00 93 Q 8.48 4.90 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 94 K 8.96 4.20 0.00 1.83 1.85 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.44 7.81 95 V 8.46 3.95 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 0.85 0.00 0.00 0.98 0.00 0.00 96 L 7.52 4.15 0.00 1.60 1.45 0.90 0.76 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 * Residues marked with a * may have inaccurate shift predictions.