NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2406 8.2993 121.7882 56.3092 33.3069 174.6019 7 S 4.6104 8.2948 119.0206 56.2610 66.1880 171.6287 8 H 4.6725 9.2322 118.3138 54.3025 32.5974 175.0636 9 N 4.6839 8.5466 122.9935 51.9069 37.1942 175.7508 10 L 4.1151 8.2647 123.0247 56.4924 42.1024 178.2193 11 L 4.6050 7.6950 116.7755 54.4009 42.1419 176.8670 12 E 4.0798 8.1653 121.6503 58.6625 29.8871 177.2798 13 A 4.6122 7.3372 119.5836 50.0885 19.0626 174.5324 14 V 3.4732 7.7191 120.3060 61.9866 32.5963 175.5186 15 R 4.3847 8.0603 125.7320 54.5320 31.5146 175.2125 16 F 4.9511 8.4700 121.3855 55.7037 41.4352 174.9541 17 D 4.7901 8.4793 121.2034 52.5394 43.6966 175.1870 18 D 4.5492 8.9882 126.7285 57.6625 41.1992 178.0956 19 Q 4.1337 8.2876 117.3459 58.1243 28.9929 176.0408 20 R 4.7669 7.7153 111.6097 53.7334 32.7746 174.5102 21 F 4.6654 8.5384 113.5344 57.4684 38.8969 174.9065 22 V 4.0265 8.4326 120.9250 61.5792 34.6071 173.9189 *24 E 4.2524 8.3917 119.5162 55.7415 30.8244 175.4277 25 L 4.1476 8.4585 127.4197 55.4553 42.2594 176.1586 26 V 3.9384 8.7432 127.0045 64.8428 32.6167 175.4813 27 H 4.8880 7.6537 118.2882 54.8809 33.4225 171.6019 28 E 5.0821 8.3209 125.0714 54.8417 32.9090 174.2797 29 S 4.6379 8.8968 120.6148 57.0105 66.2267 174.4113 30 E 3.9087 8.7016 117.2973 58.9373 29.5960 177.7766 31 N 4.4865 7.9219 116.5522 55.2668 39.3117 174.8034 32 F 5.2054 7.6058 108.8667 55.9110 41.9671 172.8622 33 K 5.0088 9.0148 121.1223 54.7163 34.7140 174.6120 34 I 4.8820 8.9906 128.3341 59.6030 39.9993 175.0436 35 V 4.8510 8.9272 120.2988 59.5286 35.7876 174.8695 36 S 5.2057 8.8127 119.3390 56.8306 65.6219 173.4990 37 F 4.7777 8.8520 119.3633 56.0596 42.5862 173.8466 38 T 4.8065 8.9054 120.8370 61.6572 70.5135 173.2954 39 F 5.5962 8.8685 124.4339 55.6481 42.6525 175.3190 40 K 4.2303 9.4629 122.0069 55.2949 32.8928 176.5318 41 A 4.2391 8.6476 125.0225 54.2605 18.5354 177.9826 42 G 4.0456 8.9607 111.9598 45.2529 0.0000 174.0353 43 Q 4.6530 8.1883 118.7476 55.8514 30.2196 174.9539 44 E 4.5909 8.6332 117.6937 54.9003 33.2661 174.4070 45 L 3.9733 8.7889 124.7073 52.9060 42.9106 174.0538 46 P 4.6287 0.0000 0.0000 62.6757 32.1226 176.7004 47 V 3.8549 8.3231 123.2761 63.8259 32.0173 174.6038 48 H 5.0455 8.7703 122.2567 54.9274 32.4165 171.9364 49 S 4.9947 7.9906 111.2914 58.1311 65.3727 174.1450 50 H 4.8429 8.7324 117.3814 53.8541 32.1014 174.1297 51 N 4.9399 8.6795 121.9907 52.0020 36.7999 173.8993 52 I 4.7427 7.0671 112.2235 58.6991 41.4429 175.8208 53 E 4.0732 8.3974 120.6398 56.6614 30.1545 175.9559 54 G 4.2870 7.7777 106.3704 43.4597 0.0000 171.9715 55 E 5.3055 8.9541 119.1371 54.3867 34.3696 174.8164 56 L 5.4183 9.0095 120.6155 54.1160 44.5235 175.0155 57 N 5.4211 9.1637 117.0694 51.1621 40.8962 173.1430 58 I 4.8923 8.6825 122.2903 59.6582 40.3599 174.4039 59 V 4.7574 9.0489 127.8957 61.0790 33.9867 174.8494 60 V 4.2334 8.9073 128.9015 62.2892 31.1925 176.2239 61 L 3.9420 8.8349 129.7747 57.2056 42.2542 177.6825 62 E 4.5244 8.1534 117.0462 55.7529 32.6006 175.7665 63 G 4.1940 9.0509 113.8389 45.1015 0.0000 171.8645 64 E 4.8003 8.6597 115.5233 54.9408 33.1099 175.2377 65 G 3.9566 8.4238 108.0627 46.1602 0.0000 171.6827 66 E 4.9607 8.7253 121.1625 54.6304 34.4500 174.9441 67 F 4.9374 8.7544 123.1304 57.0299 40.7978 174.6645 68 V 4.6046 8.8590 123.7427 61.3330 33.5121 174.8905 69 G 4.6097 8.9161 118.6347 44.0310 0.0000 172.3391 70 D 4.3841 8.5531 119.5496 55.1015 41.9378 177.3035 71 G 4.0493 9.1029 111.1980 46.5943 0.0000 173.2850 72 D 4.3706 8.3870 115.1698 54.6963 38.5363 173.7210 73 A 4.2662 7.6858 121.0376 52.0878 19.3855 177.9932 74 V 4.9774 8.3772 114.5394 59.5337 35.2844 175.1556 75 I 4.6391 8.5066 124.0939 58.6305 40.4471 173.4108 76 P 4.3913 0.0000 0.0000 62.8693 32.0004 176.5457 77 A 4.3953 8.6660 125.7203 49.1461 18.8328 173.5860 78 P 4.7395 0.0000 0.0000 61.0819 33.9121 176.5404 79 R 4.0615 8.4097 120.2912 57.9594 30.1858 176.4823 80 G 3.9064 9.5302 113.1873 45.6155 0.0000 173.2670 81 A 4.5407 8.0334 122.3418 51.4563 19.8999 177.4447 82 V 4.8799 8.3657 120.0183 59.8522 34.0822 174.4969 83 L 4.1095 8.4641 127.9049 53.1544 43.6796 174.9782 84 V 4.8071 8.0883 125.3088 61.0707 33.7522 174.2603 85 A 4.7008 8.7671 128.0297 49.7852 23.3289 173.8882 86 P 4.7210 0.0000 0.0000 62.3537 32.4509 178.0582 87 I 3.7642 8.4903 123.1305 64.5197 37.1690 178.6184 88 S 4.5878 7.8531 112.3674 59.7957 63.4166 174.1131 89 T 4.3009 7.4204 118.6693 62.1169 68.6895 173.1409 90 P 4.5636 0.0000 0.0000 63.5582 32.6012 174.9298 91 H 5.1193 9.0791 119.2874 54.3811 32.3778 172.6930 92 G 4.5567 8.9172 107.3075 45.5786 0.0000 171.3340 93 V 4.8839 8.4269 118.4847 61.0476 35.3001 173.8325 94 R 4.6073 8.6267 127.1639 54.2595 33.0387 173.8563 95 A 4.3601 8.5191 128.8481 51.6032 19.7616 177.6172 96 V 3.7241 8.5311 123.9585 65.2231 32.1014 176.6737 97 T 4.4314 7.5274 107.8308 59.4689 70.9998 173.4618 98 D 4.8812 8.1348 120.2411 53.8908 41.5270 175.5342 *100 K 4.6389 8.2561 120.8648 56.7146 33.6550 174.8693 101 V 5.1465 8.7914 119.1809 59.4923 36.3053 174.0150 102 L 5.1687 8.9360 124.5445 53.3298 44.7859 175.1325 103 V 4.9761 9.0954 126.3081 61.4224 34.3947 174.1071 104 T 4.9596 8.8913 124.1794 61.7616 71.7318 172.8634 105 I 4.9531 8.9055 127.2214 59.4164 40.3200 174.6564 106 A 4.9688 9.2499 128.8153 49.6811 22.0332 173.9293 107 P 5.0215 0.0000 0.0000 61.7044 32.4232 174.8980 108 P 4.4966 0.0000 0.0000 62.4826 32.1741 176.5762 109 I 3.8929 8.1843 119.4697 61.8449 36.9925 176.0894 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 6 K 8.30 4.24 0.00 1.71 1.79 0.00 1.52 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.38 7.81 7 S 8.29 4.61 0.00 4.02 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 8 H 9.23 4.67 0.00 3.07 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.55 4.68 0.00 2.74 2.77 0.00 0.00 7.13 6.74 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 10 L 8.26 4.12 0.00 1.62 1.70 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.69 4.60 0.00 1.61 1.66 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.17 4.08 0.00 2.02 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 2.31 2.25 0.00 13 A 7.34 4.61 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.72 3.47 1.96 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 0.17 0.00 0.00 0.92 0.00 0.00 15 R 8.06 4.38 0.00 1.65 1.69 0.00 3.36 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 16 F 8.47 4.95 0.00 3.07 2.95 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 17 D 8.48 4.79 0.00 2.56 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.99 4.55 0.00 2.71 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 19 Q 8.29 4.13 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 20 R 7.72 4.77 0.00 1.46 1.74 0.00 2.91 0.00 0.00 2.92 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 21 F 8.54 4.67 0.00 2.84 3.32 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 22 V 8.43 4.03 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 0.77 0.00 0.00 0.96 0.00 0.00 *24 E 8.39 4.25 0.00 1.83 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 2.18 2.16 0.00 25 L 8.46 4.15 0.00 1.56 1.51 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.74 3.94 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 0.47 0.00 0.00 0.86 0.00 0.00 27 H 7.65 4.89 0.00 3.21 2.98 0.00 5.87 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.32 5.08 0.00 1.92 1.70 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 2.18 2.30 0.00 29 S 8.90 4.64 0.00 4.06 4.02 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 30 E 8.70 3.91 0.00 2.09 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 0.00 2.26 2.30 0.00 31 N 7.92 4.49 0.00 2.33 2.44 0.00 0.00 6.78 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 32 F 7.61 5.21 0.00 3.08 3.12 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 33 K 9.01 5.01 0.00 1.88 1.71 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 34 I 8.99 4.88 1.69 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 -0.08 0.79 0.00 0.00 35 V 8.93 4.85 1.78 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 0.68 0.00 0.00 1.08 0.00 0.00 36 S 8.81 5.21 0.00 3.83 3.74 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 37 F 8.85 4.78 0.00 2.87 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 38 T 8.91 4.81 4.13 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 0.69 0.00 0.00 39 F 8.87 5.60 0.00 3.04 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 40 K 9.46 4.23 0.00 1.89 1.70 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.58 7.81 41 A 8.65 4.24 1.24 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 0.00 0.00 0.00 42 G 8.96 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 43 Q 8.19 4.65 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.61 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 44 E 8.63 4.59 0.00 1.91 1.76 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 2.22 2.29 0.00 45 L 8.79 3.97 0.00 1.40 1.39 0.35 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.63 0.00 2.03 2.03 0.00 3.83 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 47 V 8.32 3.85 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 0.74 0.00 0.00 0.90 0.00 0.00 48 H 8.77 5.05 0.00 3.13 3.29 0.00 5.35 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.99 4.99 0.00 3.97 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 50 H 8.73 4.84 0.00 3.17 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.68 4.94 0.00 2.73 2.80 0.00 0.00 6.81 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.07 4.74 1.89 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 1.46 0.65 0.93 0.00 0.00 53 E 8.40 4.07 0.00 1.99 1.93 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 2.32 2.25 0.00 54 G 7.78 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 0.00 0.00 0.00 0.00 55 E 8.95 5.31 0.00 1.87 1.78 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 0.00 2.30 2.22 0.00 56 L 9.01 5.42 0.00 1.71 1.66 0.74 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.16 5.42 0.00 2.83 2.87 0.00 0.00 7.05 8.18 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 58 I 8.68 4.89 1.80 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 1.13 0.75 1.12 0.00 0.00 59 V 9.05 4.76 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 1.06 0.00 0.00 0.95 0.00 0.00 60 V 8.91 4.23 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 0.93 0.00 0.00 0.91 0.00 0.00 61 L 8.83 3.94 0.00 1.73 1.74 0.93 0.73 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 E 8.15 4.52 0.00 1.90 1.83 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 2.29 2.45 0.00 63 G 9.05 4.19 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 0.00 64 E 8.66 4.80 0.00 1.99 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 2.17 2.10 0.00 65 G 8.42 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 0.00 0.00 0.00 66 E 8.73 4.96 0.00 1.72 1.68 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 2.11 2.15 0.00 67 F 8.75 4.94 0.00 2.98 2.84 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 68 V 8.86 4.60 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 0.97 0.00 0.00 0.88 0.00 0.00 69 G 8.92 4.61 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 70 D 8.55 4.38 0.00 2.76 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.10 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 72 D 8.39 4.37 0.00 2.81 2.75 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 A 7.69 4.27 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 74 V 8.38 4.98 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 0.80 0.00 0.00 0.91 0.00 0.00 75 I 8.51 4.64 2.09 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 1.28 0.92 1.04 0.00 0.00 76 P 0.00 4.39 0.00 1.90 1.93 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 77 A 8.67 4.40 -0.12 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 78 P 0.00 4.74 0.00 2.11 2.18 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 79 R 8.41 4.06 0.00 1.93 1.90 0.00 3.32 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 80 G 9.53 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 81 A 8.03 4.54 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 0.00 0.00 0.00 0.00 0.00 82 V 8.37 4.88 2.11 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 0.75 0.00 0.00 0.92 0.00 0.00 83 L 8.46 4.11 0.00 0.27 0.69 0.53 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.09 4.81 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 0.86 0.00 0.00 0.87 0.00 0.00 85 A 8.77 4.70 1.08 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 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.72 0.00 2.18 1.97 0.00 3.58 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 2.10 2.09 0.00 87 I 8.49 3.76 1.90 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 1.36 1.07 1.03 0.00 0.00 88 S 7.85 4.59 0.00 3.99 4.01 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 0.00 0.00 0.00 89 T 7.42 4.30 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 1.20 0.00 0.00 90 P 0.00 4.56 0.00 2.04 1.95 0.00 3.56 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.08 0.00 91 H 9.08 5.12 0.00 3.03 3.25 0.00 5.27 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 92 G 8.92 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 93 V 8.43 4.88 1.77 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 0.69 0.00 0.00 0.97 0.00 0.00 94 R 8.63 4.61 0.00 1.74 1.56 0.00 3.25 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 95 A 8.52 4.36 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 96 V 8.53 3.72 2.14 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 0.76 0.00 0.00 0.85 0.00 0.00 97 T 7.53 4.43 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 1.19 0.00 0.00 98 D 8.13 4.88 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 K 8.26 4.64 0.00 1.88 1.76 0.00 1.52 0.00 0.00 1.85 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.61 7.81 101 V 8.79 5.15 2.35 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 0.83 0.00 0.00 1.30 0.00 0.00 102 L 8.94 5.17 0.00 1.74 1.50 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 103 V 9.10 4.98 2.42 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 1.13 0.00 0.00 1.15 0.00 0.00 104 T 8.89 4.96 4.19 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 0.98 0.00 0.00 105 I 8.91 4.95 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.99 0.00 0.00 106 A 9.25 4.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 5.02 0.00 1.96 2.01 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 108 P 0.00 4.50 0.00 2.21 2.19 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.24 0.00 109 I 8.18 3.89 1.82 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 1.19 0.49 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.