NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.1855 8.2544 119.6953 55.5952 31.4529 174.5794 9 E 3.9389 8.9024 122.0076 55.6144 29.8356 176.1985 10 R 4.0909 8.6326 125.2672 55.8367 31.1184 172.0459 11 L 4.1942 8.4243 123.4003 54.3509 42.0705 177.1981 12 R 4.4655 8.3447 126.7573 54.6729 31.2804 177.0244 13 L 4.1117 8.4635 125.6891 57.4485 41.4628 179.3455 14 R 3.9315 8.0857 115.2205 59.2053 29.0955 178.0125 15 R 4.4674 7.8038 115.9093 56.3067 31.6082 176.4824 16 D 4.9459 8.0357 115.6450 53.5089 42.6768 177.5501 17 F 4.2388 8.5630 122.8523 61.1492 39.3416 176.5538 18 L 3.7504 8.0432 119.5016 58.0465 41.9166 178.4049 19 L 3.9362 7.9154 119.5913 58.3596 42.0370 178.8855 20 I 3.6675 7.8709 119.6235 64.2741 36.8192 178.0748 21 F 3.7839 7.9319 120.6218 61.2873 39.1959 176.9480 22 K 4.1977 8.0661 116.5106 58.0798 32.1435 177.5732 23 E 4.4413 8.1577 116.1239 56.0713 31.3143 176.0797 24 G 3.9125 7.6032 105.7495 45.2019 0.0000 172.7812 25 K 4.4829 7.9563 118.7750 54.4145 35.5425 175.4723 26 S 5.0754 7.9894 114.4976 56.8334 65.6300 172.8398 27 L 5.1723 9.1090 124.6367 53.4584 46.1664 175.2545 28 Q 5.1760 8.4918 117.8361 55.5348 30.7000 173.3515 29 N 5.0484 8.9770 116.8542 51.4363 40.3657 174.2701 30 E 4.2387 8.9112 117.4098 59.3141 29.9107 177.6720 31 Y 4.6043 7.8294 115.8748 58.6014 39.2910 175.2511 32 F 5.4133 8.4664 117.2988 55.6944 43.7877 173.9905 33 V 4.7826 8.8795 122.2800 61.4753 33.7695 174.6412 34 V 4.9440 9.1831 127.1700 61.1753 34.5404 173.8562 35 L 5.3211 9.0777 128.2248 53.0714 44.1405 175.5197 36 F 5.6408 8.5277 117.4090 55.6079 41.8140 173.3353 37 R 5.0400 9.1868 120.2255 54.4040 33.8737 174.3049 38 K 4.1992 8.9811 125.2787 56.9195 32.3625 176.4027 39 N 4.5525 9.1753 121.3017 51.2437 39.0674 174.7624 40 G 3.4454 7.5819 106.7295 47.0540 0.0000 173.7887 *42 D 4.7303 7.9931 114.3153 53.4321 43.4420 175.8402 43 Y 5.0356 7.2691 115.6666 55.7497 41.7391 173.9681 44 S 5.3237 8.9277 116.0611 57.4376 65.4482 173.7507 45 R 4.8759 9.0076 120.5845 54.4340 33.7537 174.1302 46 L 4.8122 8.3184 124.6410 53.1974 43.8722 175.5703 47 G 4.2895 9.2129 112.6221 44.3918 0.0000 171.4109 48 I 4.9870 8.2905 122.5087 59.0962 40.1157 175.0491 49 V 4.1302 8.6979 126.9476 61.1375 33.8349 174.2501 50 V 4.2226 8.0680 128.5314 60.6836 32.8894 175.7447 51 K 4.1564 8.5413 127.5010 56.0776 33.1095 178.0221 52 R 3.9185 8.6426 122.0489 59.3686 30.0934 178.5502 53 K 4.2245 7.9359 114.8279 58.3323 32.9131 177.5626 54 F 3.9309 8.4411 122.4710 58.8694 39.3292 174.9673 55 G 4.0378 7.0720 107.6551 44.0252 0.0000 171.8990 56 K 4.2389 7.7356 119.0096 55.5529 34.0174 177.9999 57 A 4.0183 8.5388 121.6408 56.0878 18.1199 180.0205 58 T 3.8940 7.8947 113.5007 66.7635 68.5712 176.7325 59 R 4.0576 7.9648 120.1749 59.5434 30.2432 178.6481 60 R 3.8915 8.2712 117.9685 59.2224 29.9265 178.7812 61 N 4.3473 8.7650 116.8179 56.0800 38.4472 177.4010 62 K 3.9745 8.1988 121.1405 59.2642 32.2379 178.5185 63 L 3.8804 7.9280 120.6273 58.1496 41.8326 179.0669 64 K 3.9103 8.0507 118.2612 59.4795 31.9263 179.1634 65 R 4.0104 8.3955 119.1636 59.3109 29.9510 178.4080 66 W 4.6451 8.7861 118.7991 60.1983 29.1904 178.7193 67 V 3.6929 8.3981 118.2322 66.1076 30.8816 178.2724 68 R 4.0259 8.5910 118.3146 59.1426 29.8026 178.7237 69 E 4.0610 8.6626 118.6597 59.6953 29.0285 179.4398 70 I 3.7198 8.2025 119.7822 64.3247 36.9248 178.2426 71 F 3.9908 8.1808 120.1632 61.4408 39.3919 176.9156 72 R 4.0872 8.2240 117.0594 59.3594 30.0240 178.1448 73 R 4.2934 8.2398 116.3305 57.3983 30.4810 176.6951 74 N 5.0013 7.5411 115.4494 52.5612 39.8552 176.5024 75 K 3.6316 8.1483 122.4704 59.0884 32.4402 178.9659 76 G 3.6385 7.9878 106.6181 47.6277 0.0000 174.2706 77 V 4.1098 7.3868 111.1356 61.0422 32.3801 175.8580 78 I 3.9365 7.1596 122.0672 59.5664 37.4862 174.1709 79 P 4.3078 0.0000 0.0000 62.8882 31.7350 175.9262 80 K 4.4946 8.6225 120.9905 56.8673 34.3910 176.3857 81 G 3.7438 8.5634 106.6044 46.6632 0.0000 172.6698 82 F 5.3076 8.3744 117.1173 55.3066 43.2093 173.9491 83 D 5.2091 9.2043 122.8376 53.7007 42.4204 175.4940 84 I 5.1355 9.0370 124.7554 59.5050 40.6635 174.5105 85 V 4.8102 9.0518 127.8910 61.2327 33.6640 174.2964 86 V 4.7268 8.7273 128.5733 61.4049 33.7741 174.5098 87 I 5.3349 9.0874 127.9390 57.5666 40.3543 173.1652 88 P 4.6349 0.0000 0.0000 62.9097 32.2503 176.2975 89 R 4.4843 8.5065 121.2901 54.7887 32.3572 177.5396 90 K 3.8354 8.8125 119.5396 59.9915 31.9123 179.4446 91 K 3.9424 7.9959 119.1129 59.3481 32.0735 178.5116 92 L 3.3666 7.6955 120.3003 57.6864 41.7426 178.6442 93 S 3.3879 7.8445 112.5025 61.2352 62.3363 175.7418 94 E 4.0324 8.1367 120.2899 58.7714 29.4276 178.2060 95 E 4.4494 7.8524 115.9321 56.2868 28.9075 177.7987 96 F 4.2253 7.8312 122.8450 60.9778 39.6228 176.6846 97 E 3.9938 8.2507 120.8144 58.3680 29.5626 177.8709 98 R 4.5888 7.0561 112.4802 55.8710 31.8621 182.2971 99 V 4.0849 7.9290 116.1615 61.9653 32.3282 176.2992 100 D 4.9353 8.5540 121.9161 52.6396 42.0442 177.1690 101 F 3.3454 8.6433 122.5402 61.2693 39.1719 177.3452 102 W 3.8648 8.4221 127.2539 60.4787 30.5849 178.0411 103 T 3.9763 8.1964 115.7110 66.3844 67.8292 176.9562 104 V 3.9730 7.8105 120.1018 65.8453 31.5047 177.9634 105 R 3.4404 7.6764 118.8025 59.2449 29.7351 178.0127 106 E 3.7082 7.8649 118.8779 59.3044 29.4024 178.9879 107 K 3.9649 8.0765 118.4574 59.2441 32.0132 179.2524 108 L 3.8295 8.1972 120.7484 58.1381 42.0552 179.0251 109 L 3.8507 8.0334 119.2101 57.5615 41.2181 178.9088 110 N 4.2234 8.0321 116.6148 56.5128 39.0603 176.4535 111 L 4.0422 7.6093 121.4687 58.1721 42.3756 178.8058 112 L 3.7936 7.9591 119.0869 57.7268 41.3465 179.4424 113 K 4.0835 7.9005 116.4770 58.1329 32.0717 178.4272 114 R 4.2447 7.5188 117.1071 55.2980 30.8488 176.5750 115 I 3.2145 6.6530 120.9306 61.1199 37.4042 176.3747 116 E 4.6926 8.0931 118.6474 57.2394 31.6635 175.3940 117 G 3.9723 8.1700 114.3069 46.3891 0.0000 172.7217 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 8 R 8.25 4.19 0.00 1.69 1.64 0.00 2.88 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.38 0.00 9 E 8.90 3.94 0.00 2.30 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 2.32 2.19 0.00 10 R 8.63 4.09 0.00 1.87 1.70 0.00 3.31 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 11 L 8.42 4.19 0.00 1.62 1.65 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.34 4.47 0.00 1.90 1.87 0.00 3.18 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 13 L 8.46 4.11 0.00 1.66 1.70 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.09 3.93 0.00 1.96 2.08 0.00 3.18 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 15 R 7.80 4.47 0.00 1.92 2.03 0.00 3.32 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 1.57 1.65 0.00 16 D 8.04 4.95 0.00 2.93 2.68 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 17 F 8.56 4.24 0.00 3.18 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 18 L 8.04 3.75 0.00 1.81 1.67 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.92 3.94 0.00 1.80 1.86 0.96 1.08 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 20 I 7.87 3.67 1.98 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 1.44 0.77 0.92 0.00 0.00 21 F 7.93 3.78 0.00 2.40 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 22 K 8.07 4.20 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.68 7.81 23 E 8.16 4.44 0.00 2.04 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 2.21 2.19 0.00 24 G 7.60 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 25 K 7.96 4.48 0.00 0.79 1.16 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.18 1.14 7.81 26 S 7.99 5.08 0.00 3.63 3.56 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 27 L 9.11 5.17 0.00 1.71 1.53 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.49 5.18 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 29 N 8.98 5.05 0.00 2.91 2.98 0.00 0.00 6.86 7.18 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 30 E 8.91 4.24 0.00 1.90 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 2.38 2.36 0.00 31 Y 7.83 4.60 0.00 3.09 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 0.00 0.00 0.00 32 F 8.47 5.41 0.00 3.02 2.89 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 33 V 8.88 4.78 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 1.07 0.00 0.00 1.01 0.00 0.00 34 V 9.18 4.94 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 0.99 0.00 0.00 0.93 0.00 0.00 35 L 9.08 5.32 0.00 1.68 1.49 1.04 0.95 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 36 F 8.53 5.64 0.00 3.12 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 37 R 9.19 5.04 0.00 1.89 1.80 0.00 3.09 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 1.53 1.60 0.00 38 K 8.98 4.20 0.00 1.61 1.54 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.02 1.66 7.81 39 N 9.18 4.55 0.00 2.72 3.15 0.00 0.00 6.66 7.78 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 40 G 7.58 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *42 D 7.99 4.73 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.27 5.04 0.00 2.98 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 44 S 8.93 5.32 0.00 4.01 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 45 R 9.01 4.88 0.00 1.97 1.84 0.00 3.29 0.00 0.00 3.40 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.70 0.00 46 L 8.32 4.81 0.00 0.27 0.70 0.58 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.21 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 48 I 8.29 4.99 1.81 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 1.16 0.64 0.84 0.00 0.00 49 V 8.70 4.13 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 0.69 0.00 0.00 0.67 0.00 0.00 50 V 8.07 4.22 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 0.45 0.00 0.00 0.66 0.00 0.00 51 K 8.54 4.16 0.00 1.88 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.43 7.81 52 R 8.64 3.92 0.00 1.87 1.92 0.00 3.22 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 53 K 7.94 4.22 0.00 1.89 1.92 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 54 F 8.44 3.93 0.00 2.96 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 55 G 7.07 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 56 K 7.74 4.24 0.00 1.82 1.77 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 57 A 8.54 4.02 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 58 T 7.89 3.89 4.26 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 1.23 0.00 0.00 59 R 7.96 4.06 0.00 1.93 2.16 0.00 3.36 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.96 0.00 60 R 8.27 3.89 0.00 2.02 1.89 0.00 3.15 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.05 0.00 61 N 8.77 4.35 0.00 2.91 2.89 0.00 0.00 6.62 7.68 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 62 K 8.20 3.97 0.00 1.87 2.08 0.00 1.54 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.02 1.27 7.81 63 L 7.93 3.88 0.00 1.05 1.39 0.68 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.05 3.91 0.00 2.01 1.85 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.51 7.81 65 R 8.40 4.01 0.00 2.03 2.33 0.00 3.21 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 1.90 1.82 0.00 66 W 8.79 4.65 0.00 3.86 3.50 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 67 V 8.40 3.69 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 0.97 0.00 0.00 1.05 0.00 0.00 68 R 8.59 4.03 0.00 1.96 2.04 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 69 E 8.66 4.06 0.00 2.38 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 0.00 2.40 2.65 0.00 70 I 8.20 3.72 1.98 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.24 0.77 0.00 0.00 71 F 8.18 3.99 0.00 3.12 3.23 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 0.00 0.00 0.00 0.00 72 R 8.22 4.09 0.00 1.97 2.17 0.00 3.35 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 73 R 8.24 4.29 0.00 1.95 2.01 0.00 3.32 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 1.77 0.00 74 N 7.54 5.00 0.00 2.74 2.63 0.00 0.00 6.46 6.96 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 75 K 8.15 3.63 0.00 1.85 1.69 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.33 0.91 7.81 76 G 7.99 3.64 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 0.00 0.00 0.00 77 V 7.39 4.11 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 0.68 0.00 0.00 0.91 0.00 0.00 78 I 7.16 3.94 1.57 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.35 0.81 0.00 0.00 79 P 0.00 4.31 0.00 1.89 2.02 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 80 K 8.62 4.49 0.00 2.04 1.85 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.43 7.81 81 G 8.56 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 0.00 0.00 0.00 82 F 8.37 5.31 0.00 2.97 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 83 D 9.20 5.21 0.00 2.67 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 84 I 9.04 5.14 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.00 0.95 0.00 0.00 85 V 9.05 4.81 2.24 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 1.21 0.00 0.00 1.08 0.00 0.00 86 V 8.73 4.73 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 0.73 0.00 0.00 0.82 0.00 0.00 87 I 9.09 5.33 1.99 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.58 1.00 0.00 0.00 88 P 0.00 4.63 0.00 1.80 1.77 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.37 0.00 89 R 8.51 4.48 0.00 1.97 1.91 0.00 3.35 0.00 0.00 3.49 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 90 K 8.81 3.84 0.00 1.90 1.88 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.09 7.81 91 K 8.00 3.94 0.00 1.93 2.11 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.83 1.75 7.81 92 L 7.70 3.37 0.00 1.03 1.48 0.41 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.84 3.39 0.00 3.65 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 94 E 8.14 4.03 0.00 2.08 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 2.30 2.53 0.00 95 E 7.85 4.45 0.00 1.96 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 2.54 0.00 96 F 7.83 4.23 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 97 E 8.25 3.99 0.00 1.95 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 2.26 2.20 0.00 98 R 7.06 4.59 0.00 1.78 1.79 0.00 3.27 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.39 0.00 99 V 7.93 4.08 2.31 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 1.10 0.00 0.00 1.26 0.00 0.00 100 D 8.55 4.94 0.00 3.04 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 0.00 101 F 8.64 3.35 0.00 1.86 2.78 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 0.00 0.00 0.00 102 W 8.42 3.86 0.00 3.49 3.21 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 0.00 103 T 8.20 3.98 4.58 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 1.33 0.00 0.00 104 V 7.81 3.97 2.33 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 1.49 0.00 0.00 1.48 0.00 0.00 105 R 7.68 3.44 0.00 0.81 1.16 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.10 0.00 106 E 7.86 3.71 0.00 2.02 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 2.25 2.28 0.00 107 K 8.08 3.96 0.00 2.02 1.93 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.24 7.81 108 L 8.20 3.83 0.00 1.47 1.46 0.33 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.03 3.85 0.00 1.62 1.57 0.70 0.70 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 0.00 110 N 8.03 4.22 0.00 2.80 2.97 0.00 0.00 7.18 7.43 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 0.00 111 L 7.61 4.04 0.00 1.93 1.74 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 L 7.96 3.79 0.00 1.60 1.59 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.90 4.08 0.00 1.70 1.79 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.48 7.81 114 R 7.52 4.24 0.00 1.88 1.88 0.00 3.13 0.00 0.00 3.30 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 115 I 6.65 3.21 1.28 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 -0.82 0.00 0.00 116 E 8.09 4.69 0.00 2.07 1.94 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 2.32 2.30 0.00 117 G 8.17 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 * Residues marked with a * may have inaccurate shift predictions.