NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4137 8.3349 115.2899 57.9000 63.5330 173.4337 18 M 4.1387 8.4024 125.0767 54.4349 32.5307 170.8145 19 V 4.1320 7.8960 120.4800 60.9887 33.7119 173.9401 20 P 4.5561 0.0000 0.0000 62.7720 32.7739 177.0623 21 G 3.8740 6.5923 108.0790 45.7179 0.0000 172.5178 22 K 5.0943 8.1813 122.7489 55.5131 35.7998 176.3634 23 V 4.5633 8.9135 120.4897 60.5399 35.1367 174.2130 24 T 4.8610 8.6433 120.5532 62.3927 69.5626 173.7926 25 L 4.7502 8.7970 127.6600 52.9020 44.3324 176.0561 26 Q 4.6057 8.6077 122.6582 55.2049 29.4061 176.1698 27 K 4.2997 8.6972 125.0682 56.7638 33.0537 177.2595 28 D 4.6410 8.9603 124.2163 52.2093 41.1592 176.6590 29 A 4.1063 8.4153 120.5778 54.4739 18.4279 178.1071 30 Q 4.3441 8.2806 114.1104 54.8728 28.9368 175.1371 31 N 4.1821 8.0256 114.9917 54.9616 37.8888 173.9071 32 L 4.8772 7.7497 115.1528 52.8064 45.6247 177.8323 33 I 3.9328 8.2245 114.3019 61.3815 38.6636 176.9362 34 G 4.7854 8.9207 109.5367 46.4598 0.0000 172.4070 35 I 5.4425 7.6891 111.0654 58.7205 40.9687 174.3959 36 S 5.0336 9.1279 118.1010 56.8411 65.8369 172.7082 37 I 4.9271 8.4571 122.3862 60.0353 39.3476 175.2733 38 G 3.9116 9.1415 113.9825 45.7640 0.0000 171.0585 39 G 4.2752 8.8977 106.8542 45.3502 0.0000 174.3007 40 G 3.8509 8.4099 110.3635 46.3805 0.0000 173.6808 41 A 4.1503 8.1315 123.7001 52.1640 19.4766 179.7257 42 Q 4.2997 8.2914 118.3716 54.8337 25.8349 176.1115 *45 P 4.4717 0.0000 0.0000 62.3750 34.0331 177.7261 46 C 4.3230 7.8454 117.3008 59.7475 29.4246 172.4187 47 L 5.1693 8.1070 121.0738 53.3658 44.8370 175.0047 48 Y 5.2625 8.6166 118.2478 56.2270 43.1499 174.5228 49 I 4.3375 8.8969 123.5617 61.7257 37.6682 177.0234 50 V 3.9383 8.9585 127.9579 64.8893 32.5281 175.9846 51 Q 4.4232 7.7633 119.4261 54.5097 32.6583 173.2262 52 V 4.6817 8.0054 125.0107 61.1744 33.2790 174.8034 53 F 4.4710 9.1272 127.6787 56.2975 38.7132 175.8064 54 D 4.3697 8.8439 122.6012 55.9677 41.1920 176.3819 55 N 4.2701 8.8957 119.6273 54.8576 36.3875 174.4166 56 T 4.7731 7.1442 104.5293 58.5406 73.4241 171.6227 57 P 4.2207 0.0000 0.0000 65.9618 31.2633 178.7457 58 A 3.9875 8.4042 119.4046 55.0601 18.0442 179.6269 59 A 3.9189 7.8654 117.8135 55.3304 18.6903 179.2927 60 L 4.0547 8.0676 116.7948 58.0367 41.7284 178.9715 61 D 4.4738 8.0398 117.2822 55.0284 41.3275 177.4809 62 G 3.9353 7.8508 105.3009 45.8702 0.0000 174.6235 63 T 3.9539 7.7490 116.1248 66.3731 68.7611 175.9817 64 V 3.7626 7.2278 112.4746 60.9017 32.7643 175.3036 65 A 4.5376 8.6923 123.1498 50.1094 22.2647 175.8886 66 A 4.2862 8.3465 122.7285 54.2551 18.6548 178.3314 67 G 4.0015 9.1469 111.6916 45.0823 0.0000 173.8660 68 D 4.7603 7.9894 120.3997 54.3053 42.1040 175.4263 69 E 4.3480 8.9235 123.8896 56.0260 31.0417 175.2535 70 I 4.8148 8.3035 128.4608 60.7346 37.8254 175.6816 71 T 4.4570 8.9426 116.7235 61.6885 71.1395 173.7970 72 G 4.2103 7.5845 107.5834 45.8566 0.0000 172.6898 73 V 4.8856 8.2927 119.6253 62.2938 34.5954 175.2036 74 N 4.3866 10.2531 126.1053 54.4860 36.4506 175.4574 75 G 3.9846 8.5797 104.8999 45.2556 0.0000 173.3172 76 R 4.4631 7.5248 120.4824 54.0204 31.6109 175.5431 77 S 4.5102 8.5046 119.5405 58.7278 63.1734 173.5168 78 I 4.3198 7.9411 118.0678 60.1854 37.6625 175.2540 79 K 4.0460 7.7039 122.8571 58.3918 32.1769 177.2216 80 G 3.9446 8.8930 113.3895 45.5102 0.0000 173.0980 81 K 4.6315 7.6997 118.9750 55.0131 33.9209 177.1891 82 T 4.2978 8.9823 113.4979 60.6517 71.1967 175.8346 83 K 3.8448 8.5988 122.4132 60.0051 32.0089 179.1510 84 V 3.6840 7.7572 118.6025 64.7191 31.4074 177.8880 85 E 3.9284 8.1302 119.1082 59.3125 29.3079 179.5536 86 V 3.5975 7.9903 117.9818 65.7405 31.5349 177.9039 87 A 4.0010 8.1127 120.5622 55.2572 18.2612 179.7723 88 K 3.9054 8.3300 117.2357 59.6020 31.8276 179.2975 89 M 3.9801 7.8573 117.6324 58.7770 32.0084 178.0357 90 I 3.8546 7.8491 119.9230 64.4979 37.0681 178.2641 91 Q 3.9962 8.0614 119.3267 59.1507 28.9245 177.6292 92 E 4.0869 8.0252 119.6858 57.8117 29.9009 177.5569 93 V 3.6614 6.9146 118.2820 62.7473 32.0190 175.3985 94 K 4.2392 8.5315 126.7458 56.8685 32.8342 175.7753 95 G 4.2346 10.1196 117.6814 44.4661 0.0000 172.3271 96 E 5.2741 7.2643 117.2874 54.3949 32.7612 174.1192 97 V 4.6984 8.8062 119.9756 60.5962 35.5725 173.8553 98 T 4.9837 9.3192 120.3019 62.2986 70.5415 173.4845 99 I 4.7733 8.7809 127.9348 59.9582 39.7198 174.2545 100 H 5.2676 9.1696 124.8214 54.4209 30.8480 173.7865 101 Y 5.4067 8.4230 120.5565 55.3349 42.1456 173.4353 102 N 5.2520 9.2922 119.2961 51.8802 42.3104 173.4879 103 K 4.6792 8.8047 124.6011 55.1529 33.0787 175.7493 104 L 4.7217 8.4030 125.0553 52.5002 43.8378 176.6648 105 Q 3.9130 8.4452 122.8219 56.1783 29.5959 174.8461 106 Y 4.7964 7.2127 120.8826 55.1347 41.2684 174.0650 107 Y 4.5915 8.3905 117.1688 55.9788 40.9072 175.1810 108 K 4.4661 8.8392 126.0400 55.4531 33.1014 176.6792 109 V 4.0853 8.2500 118.6768 61.6643 32.4894 175.3393 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 17 S 8.33 4.41 0.00 3.84 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 18 M 8.40 4.14 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 19 V 7.90 4.13 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 0.83 0.00 0.00 0.95 0.00 0.00 20 P 0.00 4.56 0.00 2.12 2.23 0.00 3.92 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 21 G 6.59 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 0.00 0.00 0.00 22 K 8.18 5.09 0.00 1.52 1.42 0.00 1.26 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.35 7.81 23 V 8.91 4.56 2.22 0.00 0.00 0.00 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 1.03 0.00 0.00 24 T 8.64 4.86 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 1.25 0.00 0.00 25 L 8.80 4.75 0.00 1.58 1.57 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.61 4.61 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 27 K 8.70 4.30 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 28 D 8.96 4.64 0.00 2.88 2.83 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 29 A 8.42 4.11 1.29 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 30 Q 8.28 4.34 0.00 2.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 31 N 8.03 4.18 0.00 2.80 2.83 0.00 0.00 6.85 7.40 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 32 L 7.75 4.88 0.00 1.95 1.44 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.22 3.93 1.89 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 1.37 1.10 0.92 0.00 0.00 34 G 8.92 4.79 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 35 I 7.69 5.44 1.94 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 1.46 0.84 0.95 0.00 0.00 36 S 9.13 5.03 0.00 4.02 4.32 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 37 I 8.46 4.93 1.91 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 1.32 0.70 0.95 0.00 0.00 38 G 9.14 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 39 G 8.90 4.28 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 40 G 8.41 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 0.00 0.00 0.00 41 A 8.13 4.15 1.28 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 42 Q 8.29 4.30 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *45 P 0.00 4.47 0.00 2.19 2.25 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 46 C 7.85 4.32 0.00 2.91 2.51 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 47 L 8.11 5.17 0.00 1.47 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.62 5.26 0.00 2.86 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 49 I 8.90 4.34 2.05 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 1.15 0.58 0.91 0.00 0.00 50 V 8.96 3.94 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 0.69 0.00 0.00 0.98 0.00 0.00 51 Q 7.76 4.42 0.00 1.89 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 1.22 1.92 0.00 52 V 8.01 4.68 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 0.85 0.00 0.00 0.91 0.00 0.00 53 F 9.13 4.47 0.00 2.97 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 54 D 8.84 4.37 0.00 2.75 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 55 N 8.90 4.27 0.00 2.89 2.91 0.00 0.00 6.79 7.54 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 56 T 7.14 4.77 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 1.36 0.00 0.00 57 P 0.00 4.22 0.00 2.29 2.22 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 58 A 8.40 3.99 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 59 A 7.87 3.92 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 60 L 8.07 4.05 0.00 1.75 1.75 nan 0.92 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 61 D 8.04 4.47 0.00 2.67 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 62 G 7.85 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 0.00 0.00 0.00 63 T 7.75 3.95 4.16 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 1.00 0.00 0.00 64 V 7.23 3.76 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 0.37 0.00 0.00 0.86 0.00 0.00 65 A 8.69 4.54 1.12 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 66 A 8.35 4.29 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.15 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 68 D 7.99 4.76 0.00 2.73 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 69 E 8.92 4.35 0.00 2.06 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 2.10 1.83 0.00 70 I 8.30 4.81 1.84 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 1.34 0.72 0.93 0.00 0.00 71 T 8.94 4.46 4.20 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 0.00 0.00 0.00 1.17 0.00 0.00 72 G 7.58 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 0.00 0.00 0.00 0.00 73 V 8.29 4.89 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 1.01 0.00 0.00 0.95 0.00 0.00 74 N 10.25 4.39 0.00 2.85 2.85 0.00 0.00 7.15 7.32 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 75 G 8.58 3.98 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 0.00 0.00 0.00 76 R 7.52 4.46 0.00 1.83 1.90 0.00 3.09 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 77 S 8.50 4.51 0.00 3.82 3.72 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 78 I 7.94 4.32 1.85 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 1.20 0.69 0.90 0.00 0.00 79 K 7.70 4.05 0.00 1.73 1.75 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.38 7.81 80 G 8.89 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 0.00 0.00 0.00 81 K 7.70 4.63 0.00 1.86 1.73 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.49 7.81 82 T 8.98 4.30 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 1.21 0.00 0.00 83 K 8.60 3.84 0.00 1.86 1.88 0.00 1.76 0.00 0.00 2.00 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.55 7.81 84 V 7.76 3.68 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 0.84 0.00 0.00 0.94 0.00 0.00 85 E 8.13 3.93 0.00 2.33 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 2.33 2.32 0.00 86 V 7.99 3.60 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 1.02 0.00 0.00 0.95 0.00 0.00 87 A 8.11 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 3.91 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.57 7.81 89 M 7.86 3.98 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 90 I 7.85 3.85 1.88 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 1.43 1.05 0.93 0.00 0.00 91 Q 8.06 4.00 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 92 E 8.03 4.09 0.00 2.15 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 2.32 2.46 0.00 93 V 6.91 3.66 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 0.88 0.00 0.00 0.97 0.00 0.00 94 K 8.53 4.24 0.00 1.78 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 95 G 10.12 4.23 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 0.00 96 E 7.26 5.27 0.00 2.09 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 2.19 2.31 0.00 97 V 8.81 4.70 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 0.91 0.00 0.00 1.01 0.00 0.00 98 T 9.32 4.98 4.35 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 1.14 0.00 0.00 99 I 8.78 4.77 1.97 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 1.27 1.00 1.02 0.00 0.00 100 H 9.17 5.27 0.00 3.20 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.42 5.41 0.00 3.03 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 0.00 102 N 9.29 5.25 0.00 2.84 2.71 0.00 0.00 7.32 6.68 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 0.00 103 K 8.80 4.68 0.00 1.76 1.83 0.00 1.85 0.00 0.00 1.95 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.65 1.59 7.81 104 L 8.40 4.72 0.00 1.73 1.66 1.20 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.45 3.91 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 1.50 1.88 0.00 106 Y 7.21 4.80 0.00 3.00 2.82 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 0.00 107 Y 8.39 4.59 0.00 3.01 2.88 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 0.00 108 K 8.84 4.47 0.00 1.86 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 109 V 8.25 4.09 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 0.81 0.00 0.00 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.