NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4091 8.3344 115.2954 57.7207 63.7945 172.7114 3 H 4.0935 7.7114 121.0180 55.4587 30.0384 172.4481 *5 H 4.6954 8.6458 114.8296 56.1793 32.1876 175.5967 6 R 4.0991 7.6589 113.3258 57.2058 30.4804 177.6822 7 V 3.7817 7.7554 119.3455 65.5979 31.9224 178.1439 8 I 2.6668 7.3864 118.6203 64.0315 36.9615 176.8152 9 N 4.5528 7.4475 113.4001 53.7609 38.7950 174.9769 10 H 4.2318 7.9081 119.6657 55.3144 30.5985 174.0059 11 P 4.0527 0.0000 0.0000 66.3595 31.3374 176.8075 12 Y 4.3190 8.3568 112.8446 59.0410 38.9844 174.4906 13 Y 4.9878 8.2621 122.6145 56.4812 39.9066 174.4911 14 F 4.2143 8.8362 126.7887 54.1526 41.1877 174.8217 15 P 4.5596 0.0000 0.0000 61.8769 29.1009 175.5008 16 F 5.2885 7.5060 120.3491 56.5605 42.0270 176.2335 17 N 5.2982 8.9629 123.5824 51.1123 40.3173 176.4165 18 G 3.5155 8.3943 105.8444 47.7898 0.0000 175.4651 19 K 3.7656 7.9630 121.7961 59.5520 32.2245 178.7859 20 Q 3.7175 8.7789 118.1347 58.4386 28.4709 178.5517 21 A 3.6906 7.9108 122.2504 54.7719 18.5156 179.2202 22 E 2.8514 7.8723 117.1251 59.5064 29.2599 179.2412 23 D 4.2387 7.4779 117.0090 57.7598 40.7228 178.2657 24 Y 4.1157 7.8367 119.7180 60.4657 38.7482 177.6288 25 L 3.6217 7.8622 119.2367 56.6321 41.5501 179.1718 26 R 4.0649 7.4753 118.0246 58.8974 30.1245 177.4731 27 S 4.4002 7.2168 109.7423 58.3130 63.6120 174.0532 28 K 4.2933 7.5042 121.4059 55.4994 34.0327 175.0071 29 E 4.6351 8.6261 118.9927 54.3830 31.7212 175.8540 30 R 4.1594 8.3821 118.6834 58.4550 30.2307 177.7231 31 G 4.2258 9.4258 111.6512 45.4316 0.0000 173.5217 32 D 5.0266 8.1031 119.9971 55.0446 42.0942 175.2246 33 F 5.6008 8.2715 114.1476 56.6894 40.8711 173.2596 34 V 4.7175 9.1125 111.7885 59.8376 36.4381 174.7109 35 I 4.9003 8.8257 124.2138 60.8688 38.9678 175.4916 36 R 4.9109 9.2739 122.0083 54.6714 33.0108 173.3394 37 Q 5.2507 8.5759 116.2805 55.0280 31.5919 174.6884 38 S 4.8831 8.8038 115.1169 56.3329 65.8316 174.3929 39 S 4.6026 8.8086 121.1613 58.1101 63.3551 173.7365 40 R 4.6523 7.4437 118.3841 55.6163 33.3023 177.9682 41 G 3.7728 8.3513 107.5565 46.9519 0.0000 173.3637 42 D 4.7237 8.7146 118.3551 54.3384 42.1708 175.7579 43 D 5.0011 7.8684 120.3369 52.8089 43.1018 175.8708 44 H 5.7058 8.7009 117.8081 55.0489 30.1704 174.2282 45 L 5.4316 7.6548 118.9960 53.4304 45.1501 175.0745 46 A 5.0582 8.9693 122.1975 50.9700 23.4491 174.8908 47 I 4.9534 8.9466 120.5220 60.1274 39.6820 175.2308 48 T 5.3553 8.9952 122.6749 61.5965 72.0133 173.0973 49 W 5.9080 8.8321 122.1602 54.8585 32.7047 173.7552 50 K 4.5786 9.4859 123.3173 55.5710 32.2268 176.9722 51 L 4.0753 8.3916 130.4341 57.2516 42.7308 175.2077 52 D 4.2959 7.1793 115.4251 52.7387 43.8906 173.5246 53 K 3.7619 8.5538 121.3495 58.0967 31.9462 175.1843 54 D 4.4687 8.7357 123.6293 54.7008 39.8439 172.1998 55 L 4.5822 6.9292 118.2861 52.7303 45.2333 175.2254 56 F 5.1843 8.5228 122.8509 55.9222 43.4027 173.7564 57 Q 4.5716 8.3314 119.6713 54.3355 32.0219 174.3806 58 H 5.4595 8.6597 118.2736 54.1615 32.3700 173.0486 59 V 4.6272 9.1119 122.6420 61.0096 35.0648 174.3561 60 D 4.8695 8.9086 126.6614 54.4064 41.7906 175.5936 61 I 4.6165 8.2035 123.4099 59.8118 39.0660 175.3070 62 Q 5.0099 8.8392 126.5941 54.4737 30.3716 175.1501 63 E 5.1614 8.4916 121.3855 54.3121 32.4977 175.4825 *65 E 4.1842 8.7217 118.7244 54.9325 31.5377 177.9003 66 K 4.0656 8.3848 115.2231 56.8009 30.3617 175.6954 67 E 4.4271 7.7424 117.0829 56.8902 33.8095 176.9733 *73 G 3.8482 8.2916 108.8137 45.3661 0.0000 171.5291 74 K 4.8699 8.2854 116.7053 54.4718 35.9691 176.5543 75 V 4.6510 8.3842 121.9971 60.0453 34.6413 174.1314 76 L 5.0079 9.3736 123.7050 53.3124 43.9776 175.4665 77 V 4.9424 9.1286 124.0436 61.0780 34.4392 174.2816 78 V 4.5434 9.1138 127.8367 61.0449 34.0544 175.3262 79 E 3.8992 9.5960 129.9109 58.0208 27.1778 175.1986 80 G 3.9781 7.9346 102.0434 45.8829 0.0000 173.0141 81 Q 4.4554 7.7782 117.4684 54.8075 33.3521 173.9012 82 R 5.0882 8.2232 124.8489 54.8128 32.6551 174.9922 83 Y 4.8551 8.9603 119.3052 56.9347 42.1649 176.0874 84 H 4.1745 9.6955 119.5269 57.8389 29.1939 176.1065 85 D 4.9033 7.6885 117.3766 51.3228 46.1034 175.9235 86 L 3.6878 8.4235 123.0202 58.2035 42.1214 178.7322 87 D 4.4708 8.2071 118.5933 57.9984 40.7575 179.1989 88 Q 4.0584 8.1332 117.3981 58.8891 28.6499 178.9970 89 I 3.0945 6.9216 120.5703 64.1966 37.2276 178.4141 90 I 3.5787 7.7955 120.8718 64.2917 36.9245 178.4650 91 V 3.6054 7.9166 119.1076 66.2718 31.2194 178.0364 92 E 3.8969 7.8374 117.7127 59.4998 29.1721 178.5426 93 Y 3.3034 8.0318 115.5503 59.2536 37.7601 177.7575 94 L 4.2639 7.6081 120.2829 57.2782 42.2076 178.7583 95 Q 3.9564 7.9773 117.9682 59.2437 28.7362 177.8918 96 N 3.9275 8.1341 117.8010 56.9501 38.5086 176.2638 97 K 3.8542 7.5937 120.5161 60.0035 32.5075 178.8809 98 I 3.8800 8.0932 118.4152 64.1356 37.2424 178.2822 99 R 4.1723 8.0033 119.1440 58.4085 29.6537 177.5760 100 L 4.4913 7.4823 117.3893 54.4993 41.4035 177.8443 101 L 4.4632 8.0388 120.8881 53.9952 43.4886 174.6525 102 N 4.3664 8.1870 120.1022 52.6680 38.1817 174.7510 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 S 8.33 4.41 0.00 3.88 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 3 H 7.71 4.09 0.00 3.29 3.20 0.00 5.75 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 *5 H 8.65 4.70 0.00 3.19 3.05 0.00 5.91 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.66 4.10 0.00 1.88 1.94 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 7 V 7.76 3.78 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 0.78 0.00 0.00 0.98 0.00 0.00 8 I 7.39 2.67 1.70 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 1.23 0.76 0.78 0.00 0.00 9 N 7.45 4.55 0.00 2.77 2.80 0.00 0.00 7.00 8.04 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 10 H 7.91 4.23 0.00 3.49 3.30 0.00 5.81 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 11 P 0.00 4.05 0.00 2.03 2.02 0.00 3.23 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.04 0.00 12 Y 8.36 4.32 0.00 3.20 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 13 Y 8.26 4.99 0.00 3.07 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 14 F 8.84 4.21 0.00 1.87 1.45 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 15 P 0.00 4.56 0.00 2.09 2.20 0.00 3.30 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.94 0.00 16 F 7.51 5.29 0.00 2.97 2.80 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 0.00 0.00 0.00 17 N 8.96 5.30 0.00 2.95 3.00 0.00 0.00 6.77 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 18 G 8.39 3.52 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 0.00 0.00 0.00 19 K 7.96 3.77 0.00 1.76 1.89 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 20 Q 8.78 3.72 0.00 1.66 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 21 A 7.91 3.69 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 2.85 0.00 1.83 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 1.47 2.21 0.00 23 D 7.48 4.24 0.00 2.58 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 24 Y 7.84 4.12 0.00 2.93 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 25 L 7.86 3.62 0.00 1.95 1.92 1.18 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.48 4.06 0.00 2.01 2.02 0.00 3.14 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 27 S 7.22 4.40 0.00 3.78 3.90 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 28 K 7.50 4.29 0.00 1.78 1.97 0.00 1.47 0.00 0.00 1.14 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.02 1.03 7.81 29 E 8.63 4.64 0.00 2.19 1.89 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 2.25 2.25 0.00 30 R 8.38 4.16 0.00 1.83 1.96 0.00 3.22 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.65 0.00 31 G 9.43 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 32 D 8.10 5.03 0.00 2.89 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 33 F 8.27 5.60 0.00 3.26 3.22 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 34 V 9.11 4.72 1.91 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 0.16 0.00 0.00 1.06 0.00 0.00 35 I 8.83 4.90 2.11 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 1.51 0.94 1.10 0.00 0.00 36 R 9.27 4.91 0.00 2.07 1.99 0.00 3.11 0.00 0.00 3.49 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 37 Q 8.58 5.25 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 38 S 8.80 4.88 0.00 3.93 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 39 S 8.81 4.60 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 40 R 7.44 4.65 0.00 1.80 1.85 0.00 3.48 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 41 G 8.35 3.77 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 0.00 0.00 0.00 42 D 8.71 4.72 0.00 2.69 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 43 D 7.87 5.00 0.00 2.70 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 44 H 8.70 5.71 0.00 3.26 3.56 0.00 5.56 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 45 L 7.65 5.43 0.00 1.54 1.59 0.89 0.99 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 A 8.97 5.06 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 47 I 8.95 4.95 1.88 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.62 0.65 0.00 0.00 48 T 9.00 5.36 4.34 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 1.17 0.00 0.00 49 W 8.83 5.91 0.00 3.77 3.35 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 50 K 9.49 4.58 0.00 2.09 1.89 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.19 7.81 51 L 8.39 4.08 0.00 1.32 1.41 0.45 1.17 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 52 D 7.18 4.30 0.00 2.55 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 0.00 0.00 0.00 0.00 53 K 8.55 3.76 0.00 1.69 1.68 0.00 1.95 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 54 D 8.74 4.47 0.00 2.79 2.64 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 55 L 6.93 4.58 0.00 1.53 1.20 0.83 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.52 5.18 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.57 0.00 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 58 H 8.66 5.46 0.00 2.99 3.19 0.00 5.64 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 59 V 9.11 4.63 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 1.08 0.00 0.00 1.23 0.00 0.00 60 D 8.91 4.87 0.00 2.65 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 61 I 8.20 4.62 1.87 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 1.21 0.58 0.92 0.00 0.00 62 Q 8.84 5.01 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.65 0.00 0.00 0.00 0.00 0.00 2.68 2.21 0.00 63 E 8.49 5.16 0.00 1.86 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 2.24 2.17 0.00 *65 E 8.72 4.18 0.00 2.03 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 2.30 2.29 0.00 66 K 8.38 4.07 0.00 1.92 1.95 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 67 E 7.74 4.43 0.00 1.91 1.65 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 2.22 2.30 0.00 *73 G 8.29 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 74 K 8.29 4.87 0.00 1.76 1.68 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.41 7.81 75 V 8.38 4.65 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 0.87 0.00 0.00 1.00 0.00 0.00 76 L 9.37 5.01 0.00 1.81 1.70 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.13 4.94 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 1.03 0.00 0.00 0.95 0.00 0.00 78 V 9.11 4.54 2.37 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 1.04 0.00 0.00 1.01 0.00 0.00 79 E 9.60 3.90 0.00 2.20 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 2.35 2.35 0.00 80 G 7.93 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 81 Q 7.78 4.46 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.71 0.00 0.00 0.00 0.00 0.00 2.15 1.73 0.00 82 R 8.22 5.09 0.00 1.56 1.69 0.00 3.18 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 83 Y 8.96 4.86 0.00 2.79 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 84 H 9.70 4.17 0.00 3.14 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.69 4.90 0.00 2.69 2.61 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 86 L 8.42 3.69 0.00 1.67 1.43 0.86 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.21 4.47 0.00 2.76 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 88 Q 8.13 4.06 0.00 2.35 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 89 I 6.92 3.09 1.69 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 -0.36 0.44 0.00 0.00 90 I 7.80 3.58 2.02 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 1.52 1.51 0.79 0.00 0.00 91 V 7.92 3.61 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 1.04 0.00 0.00 0.96 0.00 0.00 92 E 7.84 3.90 0.00 2.14 1.79 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 2.33 2.62 0.00 93 Y 8.03 3.30 0.00 1.74 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 94 L 7.61 4.26 0.00 1.98 1.76 1.05 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.98 3.96 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.68 0.00 96 N 8.13 3.93 0.00 2.34 2.50 0.00 0.00 6.85 5.92 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 97 K 7.59 3.85 0.00 1.98 2.05 0.00 1.99 0.00 0.00 1.86 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.58 7.81 98 I 8.09 3.88 1.87 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 1.55 0.73 0.92 0.00 0.00 99 R 8.00 4.17 0.00 2.15 1.93 0.00 3.23 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 100 L 7.48 4.49 0.00 1.87 1.71 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.04 4.46 0.00 1.59 1.54 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.19 4.37 0.00 2.76 2.71 0.00 0.00 7.05 7.56 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 * Residues marked with a * may have inaccurate shift predictions.