NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.7894 8.3544 109.6951 43.8863 0.0000 173.5260 8 V 4.0325 7.9448 117.4979 60.2376 34.0561 173.0089 9 Y 4.6990 8.0690 123.8345 56.5484 41.1223 174.1739 10 D 3.3700 7.5680 116.4777 51.8122 44.0316 174.6799 11 P 4.3021 0.0000 0.0000 63.4254 31.5482 178.1708 12 A 4.0128 7.7598 121.0949 54.6734 17.8925 179.7873 13 Q 3.8484 7.6085 115.9779 58.8495 28.7536 178.4021 14 A 4.1136 7.6357 121.4024 54.9286 18.5420 179.5224 15 R 3.8256 8.2846 117.7175 59.6415 30.0835 178.6753 16 I 3.7385 7.6338 117.9812 64.0081 38.1088 177.5479 17 E 4.1017 8.0388 117.6365 58.4371 29.4391 178.3992 18 A 4.3020 7.7569 120.0547 53.7464 19.0053 178.6932 19 E 4.0754 8.1632 117.8025 58.7715 29.7551 178.7337 20 S 4.2049 7.8956 115.3878 61.1455 62.9420 176.6797 21 V 3.5570 7.4090 120.3496 65.8853 31.3425 178.0896 22 K 4.1632 7.7293 118.5215 59.4216 31.8099 178.6707 23 A 4.1778 7.8046 120.3508 55.0267 18.3989 179.5397 24 V 3.6962 7.8099 116.8891 66.2640 31.5479 178.4029 25 Q 4.0518 8.0635 117.4716 58.8037 28.2323 178.5148 26 E 4.1508 7.8818 118.5936 58.4125 29.7582 177.5979 27 K 4.2895 7.9290 119.3784 56.5526 32.0806 178.8963 *29 A 4.3112 8.1543 122.8672 52.2285 20.3898 179.0398 30 G 3.6673 8.0717 102.2085 46.8590 0.0000 172.7663 31 N 4.8509 7.2007 114.8578 52.0542 40.9221 173.8331 32 D 4.7046 8.1585 115.7505 51.6766 42.2646 175.6016 33 D 4.3531 8.5039 120.9542 54.3492 41.8795 174.8274 34 P 4.3050 0.0000 0.0000 65.9780 31.3554 178.1427 35 H 4.3284 8.3728 116.5342 59.1313 30.1586 176.9048 36 F 4.0489 8.1663 121.5273 61.3684 39.0921 177.1071 37 Q 4.1000 8.4323 117.7345 59.2400 28.5619 178.9711 38 T 3.8692 7.6642 116.6052 66.7615 68.5665 176.9392 39 R 3.8068 7.9185 119.7001 59.2874 30.0270 179.0337 40 A 3.8787 7.6804 120.0412 55.2931 18.3009 179.8918 41 T 3.8855 7.6633 114.6120 66.6142 68.5685 177.2633 42 V 3.5735 7.6878 120.1644 66.0493 31.4797 178.2631 43 I 3.7292 7.7767 119.6316 64.1578 36.9267 178.3635 44 K 3.9130 8.5139 121.0383 59.2993 31.8719 178.5914 45 E 3.9215 8.3239 119.7872 59.2326 29.6933 178.9107 46 Q 3.9472 7.9032 117.5842 59.1970 28.8960 178.9261 47 R 3.9951 8.3004 118.9654 58.9213 30.0498 178.9262 48 A 4.0772 8.0822 120.9003 54.7967 17.9582 179.1933 49 E 3.9852 8.0862 117.6437 58.9715 29.7988 178.7884 50 L 4.1054 7.7940 118.5417 57.1558 41.6585 179.0120 51 A 4.1006 7.9369 121.0196 55.0826 18.1930 179.8389 52 K 4.0205 8.2210 116.9248 59.2926 31.9772 179.3003 53 H 4.2513 7.8064 118.2410 59.6913 29.9984 176.9735 54 H 4.1977 7.9983 117.6665 58.9750 27.9896 178.0415 55 V 3.7069 7.7280 120.0377 65.9132 31.4216 178.0889 56 S 4.3348 7.9696 113.2325 61.0918 62.2405 176.3086 57 V 3.6724 8.0377 121.3651 65.9711 31.2178 178.0070 58 L 4.0748 8.0217 118.5961 57.5801 41.2290 179.3749 59 W 4.6440 8.1602 127.1228 60.0614 30.7525 177.6268 60 S 4.1995 8.0037 112.6572 60.6758 63.3575 175.2479 61 D 4.3815 8.3348 121.7112 56.2676 40.6581 176.9787 62 Y 3.6229 7.0339 118.8638 59.2574 39.2987 174.8763 63 F 3.8696 8.4848 123.0214 57.7813 39.1189 175.8401 64 K 4.2758 7.9535 125.3598 54.1953 33.4767 176.1043 65 P 4.5181 0.0000 0.0000 65.7039 31.4038 177.3729 66 P 4.3248 0.0000 0.0000 65.2720 31.2261 178.1757 67 H 4.3696 7.6589 115.2913 58.2902 28.2945 177.2622 68 F 4.6998 7.3509 118.6463 59.4604 38.9862 177.5817 69 E 4.2013 7.9914 117.4684 59.1557 29.6974 178.3890 70 K 4.0917 8.0528 118.4597 57.9356 32.7359 176.0835 71 Y 4.7153 7.5913 117.6180 54.9956 38.1068 174.1567 72 P 4.5912 0.0000 0.0000 64.7061 32.0695 178.0650 73 E 4.2368 8.2062 116.4996 57.6349 30.6371 178.0824 74 L 3.8979 7.8313 121.5836 58.7020 41.8926 178.4132 75 H 4.2347 8.2359 115.3309 59.2330 28.7658 177.5050 76 Q 3.9388 8.0371 120.4451 58.5655 28.9138 177.7632 77 L 3.9113 7.6959 121.4505 58.1412 42.1813 179.0556 78 V 3.4716 7.7088 118.2517 65.8647 31.3731 177.5200 79 N 4.0114 7.6135 116.5517 56.6332 38.8021 176.6398 80 D 4.1340 7.8560 120.0280 56.8586 40.5519 179.0101 81 T 3.5373 7.1259 115.9653 66.4639 68.6120 176.5677 82 L 4.0553 7.5769 119.5723 57.6895 41.9821 179.4606 83 K 4.1180 8.0408 118.2516 58.7792 32.1087 179.2210 84 A 4.3541 7.7296 120.2566 52.5944 18.3594 179.4361 *86 S 4.3055 8.1722 119.1626 60.1170 65.3217 176.4911 87 A 4.0021 7.8955 122.5012 54.8166 18.4055 179.5244 88 A 4.0514 7.8131 118.0540 54.9902 18.6723 178.8792 89 K 4.0771 8.1092 116.2951 59.1176 32.4407 177.9351 90 G 3.7437 7.7031 106.0549 46.3730 0.0000 173.3432 91 S 4.7252 7.5613 113.6488 56.7679 64.2469 173.5681 92 K 4.4147 8.2981 120.5822 56.0747 33.6234 176.1057 93 D 4.5721 8.3386 120.9796 52.8541 41.6539 175.2425 94 P 4.5380 0.0000 0.0000 65.2068 31.1357 178.3804 95 A 4.0844 8.1538 119.9994 55.0230 18.2404 179.5076 96 T 4.1296 8.0369 108.0639 64.3456 68.6244 177.2174 97 G 3.8365 7.8968 109.4157 46.4097 0.0000 175.0040 98 Q 3.8552 7.8498 120.8408 58.0170 29.2778 177.6416 99 K 3.9911 7.8418 120.8600 59.2866 32.2131 178.5558 100 A 4.2918 7.7782 120.5482 54.7694 18.3675 179.5705 101 L 4.0723 7.5141 117.5698 57.8636 41.1609 179.2889 102 D 4.3501 8.2020 119.0962 57.4754 40.5827 178.4225 103 Y 4.1195 7.9567 117.1010 61.1534 37.8412 178.4609 104 I 3.8012 8.0591 120.6213 64.1981 37.2858 178.3383 105 A 4.0433 8.2095 121.7968 55.2088 17.7217 179.7145 106 Q 4.0332 7.8798 115.7725 59.0518 28.8036 178.7230 107 I 3.8981 7.6160 121.0449 64.0171 37.2753 177.9135 108 D 4.3620 8.3359 119.4594 57.0201 40.6137 178.1785 109 K 4.1383 8.1226 120.0212 59.6876 31.7505 178.9762 110 I 3.6508 7.6002 119.5239 63.7598 36.6588 178.3173 111 F 3.9159 7.9243 121.1673 61.1583 39.2486 177.1762 112 W 4.4234 8.1061 117.5663 59.2880 28.7311 178.4485 113 E 4.1510 8.0607 118.2638 59.2392 28.7014 178.7653 114 T 4.1527 7.4111 107.1577 63.3341 69.3098 176.1940 115 K 4.2069 7.3534 119.4459 57.1256 32.3988 177.6749 116 K 4.1748 7.6439 117.4535 58.3605 33.6750 175.7472 117 A 4.2153 8.0454 125.1509 52.4581 19.0569 176.0010 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 7 G 8.35 3.79 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 0.00 0.00 0.00 8 V 7.94 4.03 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 0.86 0.00 0.00 0.91 0.00 0.00 9 Y 8.07 4.70 0.00 2.88 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 10 D 7.57 3.37 0.00 2.49 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 0.00 0.00 0.00 11 P 0.00 4.30 0.00 2.16 1.87 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.35 0.00 12 A 7.76 4.01 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 13 Q 7.61 3.85 0.00 1.86 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 14 A 7.64 4.11 1.36 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 15 R 8.28 3.83 0.00 2.00 1.93 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 16 I 7.63 3.74 1.86 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 1.18 0.99 0.00 0.00 17 E 8.04 4.10 0.00 2.11 2.18 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 2.58 2.57 0.00 18 A 7.76 4.30 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 19 E 8.16 4.08 0.00 2.36 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 2.30 2.39 0.00 20 S 7.90 4.20 0.00 4.06 3.88 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 0.00 0.00 0.00 21 V 7.41 3.56 2.23 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 1.00 0.00 0.00 1.01 0.00 0.00 22 K 7.73 4.16 0.00 2.01 1.79 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 7.80 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 24 V 7.81 3.70 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 1.05 0.00 0.00 0.92 0.00 0.00 25 Q 8.06 4.05 0.00 2.35 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 26 E 7.88 4.15 0.00 1.97 2.03 0.00 0.00 0.00 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 2.48 0.00 27 K 7.93 4.29 0.00 2.04 2.15 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.47 7.81 *29 A 8.15 4.31 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 30 G 8.07 3.67 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 0.00 0.00 0.00 31 N 7.20 4.85 0.00 2.50 2.69 0.00 0.00 6.92 8.35 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 32 D 8.16 4.70 0.00 2.76 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 33 D 8.50 4.35 0.00 2.81 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 34 P 0.00 4.30 0.00 2.24 2.13 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 35 H 8.37 4.33 0.00 3.24 3.52 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.17 4.05 0.00 3.30 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.43 4.10 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 38 T 7.66 3.87 4.36 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 1.20 0.00 0.00 39 R 7.92 3.81 0.00 1.73 1.77 0.00 2.97 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 40 A 7.68 3.88 1.23 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 0.00 0.00 41 T 7.66 3.89 4.37 0.00 0.00 0.00 0.00 0.00 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 42 V 7.69 3.57 2.18 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 1.00 0.00 0.00 0.93 0.00 0.00 43 I 7.78 3.73 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.54 0.87 0.00 0.00 44 K 8.51 3.91 0.00 1.86 1.93 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 45 E 8.32 3.92 0.00 2.32 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 0.00 2.29 2.38 0.00 46 Q 7.90 3.95 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 47 R 8.30 4.00 0.00 1.84 2.13 0.00 3.54 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 48 A 8.08 4.08 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.09 3.99 0.00 2.29 2.03 0.00 0.00 0.00 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 2.38 0.00 50 L 7.79 4.11 0.00 1.90 1.72 0.93 0.77 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 51 A 7.94 4.10 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.22 4.02 0.00 1.99 1.87 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 53 H 7.81 4.25 0.00 3.36 3.40 0.00 5.79 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 54 H 8.00 4.20 0.00 3.27 3.31 0.00 5.67 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 55 V 7.73 3.71 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 1.00 0.00 0.00 1.06 0.00 0.00 56 S 7.97 4.33 0.00 4.03 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 57 V 8.04 3.67 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 1.07 0.00 0.00 0.84 0.00 0.00 58 L 8.02 4.07 0.00 2.16 1.98 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.16 4.64 0.00 3.40 3.61 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 60 S 8.00 4.20 0.00 4.02 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 61 D 8.33 4.38 0.00 2.64 2.77 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 0.00 0.00 0.00 0.00 62 Y 7.03 3.62 0.00 2.03 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 63 F 8.48 3.87 0.00 3.07 2.38 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 64 K 7.95 4.28 0.00 1.44 1.53 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.32 7.81 65 P 0.00 4.52 0.00 2.17 2.19 0.00 3.53 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 2.13 2.22 0.00 66 P 0.00 4.32 0.00 2.01 2.02 0.00 3.35 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 2.00 2.10 0.00 67 H 7.66 4.37 0.00 2.85 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 7.35 4.70 0.00 3.18 3.01 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 69 E 7.99 4.20 0.00 2.11 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 0.00 2.36 2.32 0.00 70 K 8.05 4.09 0.00 1.60 1.43 0.00 1.56 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.41 1.12 7.81 71 Y 7.59 4.72 0.00 3.19 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 72 P 0.00 4.59 0.00 2.23 2.23 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 73 E 8.21 4.24 0.00 2.19 2.30 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 2.40 2.29 0.00 74 L 7.83 3.90 0.00 1.91 1.86 0.55 0.22 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 75 H 8.24 4.23 0.00 3.23 3.28 0.00 5.67 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 76 Q 8.04 3.94 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 77 L 7.70 3.91 0.00 1.90 1.91 1.18 1.24 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 78 V 7.71 3.47 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 0.67 0.00 0.00 1.00 0.00 0.00 79 N 7.61 4.01 0.00 2.57 2.72 0.00 0.00 7.21 9.28 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 80 D 7.86 4.13 0.00 2.43 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 0.00 0.00 0.00 81 T 7.13 3.54 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 1.22 0.00 0.00 82 L 7.58 4.06 0.00 1.61 1.63 0.72 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.04 4.12 0.00 1.72 1.75 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.48 7.81 84 A 7.73 4.35 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 *86 S 8.17 4.31 0.00 4.07 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 87 A 7.90 4.00 1.36 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 88 A 7.81 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.08 0.00 1.72 2.06 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.55 1.43 7.81 90 G 7.70 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 91 S 7.56 4.73 0.00 3.87 3.87 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 92 K 8.30 4.41 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.39 7.81 93 D 8.34 4.57 0.00 2.75 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 94 P 0.00 4.54 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.96 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 95 A 8.15 4.08 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 96 T 8.04 4.13 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 97 G 7.90 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 0.00 0.00 0.00 98 Q 7.85 3.86 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 99 K 7.84 3.99 0.00 2.02 2.00 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.49 7.81 100 A 7.78 4.29 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 4.07 0.00 1.80 1.74 0.98 1.06 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 0.00 102 D 8.20 4.35 0.00 2.80 2.52 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 0.00 103 Y 7.96 4.12 0.00 3.27 2.94 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 0.00 104 I 8.06 3.80 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.93 0.00 0.00 105 A 8.21 4.04 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 0.00 106 Q 7.88 4.03 0.00 2.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 107 I 7.62 3.90 2.07 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 1.10 0.00 0.00 108 D 8.34 4.36 0.00 2.95 2.94 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 0.00 109 K 8.12 4.14 0.00 2.13 1.94 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.57 7.81 110 I 7.60 3.65 1.92 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.01 0.11 0.00 0.00 111 F 7.92 3.92 0.00 2.97 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 0.00 112 W 8.11 4.42 0.00 3.54 3.24 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 0.00 113 E 8.06 4.15 0.00 2.32 2.21 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 2.46 2.52 0.00 114 T 7.41 4.15 4.03 0.00 0.00 0.00 0.00 0.00 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 0.00 115 K 7.35 4.21 0.00 2.02 1.97 0.00 1.52 0.00 0.00 0.97 0.00 0.00 2.77 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.84 1.01 7.81 116 K 7.64 4.17 0.00 1.97 1.88 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.76 7.81 117 A 8.05 4.22 1.48 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.