NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2452 8.1429 120.9830 55.4650 41.9718 177.5227 7 E 4.7565 8.5733 117.9611 60.5644 29.3766 171.8538 8 E 4.1823 8.5026 117.9074 61.2447 30.1372 180.6482 9 L 4.4341 7.8658 119.2456 57.8406 42.5172 178.1328 10 E 3.8681 7.8696 117.4544 59.8843 29.3584 179.2962 11 Q 4.2438 7.7725 115.4817 57.5127 28.9552 177.1546 12 F 4.7315 8.8929 121.9319 59.5707 40.9399 176.1465 13 A 4.2873 8.0890 120.7556 54.6968 17.8026 178.9178 14 K 3.9776 8.9229 117.8323 59.1439 32.4215 179.7067 15 T 3.8075 7.7291 115.8587 66.4906 68.6427 175.9740 16 F 3.6588 8.0895 122.8866 61.3764 39.2289 176.9829 17 K 4.5621 8.0398 119.7898 60.0162 31.9339 177.7972 18 Q 3.8191 7.8302 116.2372 59.2563 28.4759 179.4790 19 R 3.7468 8.1796 118.4773 60.0315 30.4137 178.5188 20 R 3.7558 8.1771 118.4791 59.2472 29.9968 178.2164 21 I 3.7209 8.3213 119.5408 64.5964 37.0813 178.4697 22 K 3.8772 8.1012 118.0235 59.4787 32.1205 178.9557 23 L 4.0747 7.9082 119.4281 56.3059 42.1213 176.9994 24 G 3.8694 8.1848 105.6362 47.1473 0.0000 173.2932 25 F 4.6763 7.9839 116.7638 55.0716 42.2765 175.9411 26 T 4.5829 8.3413 114.4051 60.4312 71.8291 175.9352 27 Q 4.1497 8.7757 121.4916 59.5556 28.6680 179.9192 28 G 3.6384 8.0747 105.9196 47.8125 0.0000 175.2909 29 D 4.4215 8.8728 121.9216 57.2967 40.8194 179.1123 30 V 3.0781 8.2330 119.0808 65.5052 31.4860 178.0934 31 G 3.6194 7.9923 105.5447 47.4088 0.0000 175.1985 32 L 3.9449 7.9622 121.3470 57.7072 42.0210 179.0850 33 A 4.0259 8.2520 120.1728 55.7746 17.9840 179.2333 34 M 3.8165 8.1981 117.0549 58.7009 32.1180 179.3252 35 G 3.9976 8.1197 104.8475 47.3420 0.0000 173.9337 36 K 4.4856 8.6626 122.3406 56.4781 33.2954 179.2049 37 L 3.4204 8.3417 114.7359 59.6146 41.0083 181.1093 *38 Y 4.1611 9.2232 115.0582 57.7463 37.5631 179.2389 39 G 4.1147 8.1641 109.1453 47.6885 0.0000 174.6856 40 N 4.7196 7.8336 121.2079 51.5208 39.2364 177.6502 41 D 4.7486 7.6641 115.3277 53.1075 42.3473 171.6147 42 F 4.9744 8.1894 123.7042 54.8793 42.6498 174.5198 43 S 4.7145 8.6340 120.3891 57.0200 64.6682 174.6768 44 Q 4.0017 8.8503 123.0646 60.1959 28.5385 179.3023 45 T 3.9583 8.0039 115.8876 67.0601 68.4355 176.3224 46 T 3.9571 8.5520 117.9962 66.6259 68.7606 176.6318 47 I 3.6939 7.8732 121.0882 64.7628 37.1097 178.3235 48 S 4.1841 8.5864 114.0354 61.6246 62.3428 176.4494 49 R 3.9948 8.1377 120.7401 59.4399 29.6075 178.3622 50 F 3.9856 8.8459 121.2736 60.9887 39.4858 176.7972 51 E 3.8057 8.8088 117.6598 59.3361 29.6608 178.8942 52 A 4.3106 8.0918 119.0310 51.7124 19.2868 176.6598 53 L 3.4824 8.0861 115.3317 55.8435 39.2851 174.7945 54 N 4.6321 8.5687 116.1207 53.6911 39.8499 174.6356 55 L 4.1007 7.7524 118.6533 54.6685 42.1613 177.2289 56 S 4.0853 9.1889 118.2551 60.5818 64.0550 175.0818 57 F 3.7010 8.7072 122.9446 59.4488 40.0554 177.5290 58 K 3.2011 7.7093 120.8049 59.7214 32.5935 177.8397 59 N 4.2995 7.7671 115.9850 57.1522 38.9015 176.3340 60 M 3.8862 8.3344 120.0186 58.8792 31.9410 179.0228 61 S 4.0599 7.7294 113.5005 61.8880 63.0349 176.2569 62 K 3.9777 8.1372 123.7289 59.6684 32.2421 178.8917 63 L 3.9176 8.4948 123.7981 61.4582 40.9180 183.4725 64 K 4.8929 8.4152 122.7815 58.0421 32.2106 178.0640 65 P 4.2391 0.0000 0.0000 65.6827 31.3261 178.5829 66 L 4.2894 7.7910 118.1457 57.5615 41.8454 179.0132 67 L 4.0059 7.6087 118.9449 57.6902 41.6847 178.5207 68 E 4.4711 8.8269 122.1385 59.9599 29.4364 179.6113 69 K 3.9801 8.4528 123.9260 59.5378 31.6755 180.6616 70 W 4.2944 8.4073 130.1447 60.2388 30.5972 177.3214 71 L 3.0326 8.7821 120.6453 58.1813 41.2332 178.5196 72 N 4.1161 7.9740 115.1801 56.3727 38.6291 176.6159 73 D 4.3406 7.8231 117.8000 57.3695 41.4395 177.9144 74 A 3.8583 7.8802 120.9016 54.8985 18.3428 178.9937 75 E 3.7170 8.2149 115.9050 57.5203 29.8446 177.1689 *102 R 3.9887 7.2736 118.5117 55.6589 31.0939 174.2573 103 K 4.1941 8.3543 125.1068 54.9714 33.0727 176.4087 104 K 3.7548 8.6391 126.9746 56.5360 32.4567 176.0391 105 R 3.8755 8.5128 126.2794 56.7390 30.3151 175.8244 106 T 4.1160 8.4193 122.8050 63.1490 68.7873 174.5213 107 S 4.4786 8.4513 121.3038 57.6167 63.4266 173.0513 108 I 4.5430 7.9193 124.6873 58.6718 39.7865 176.1564 109 E 4.0655 8.7189 124.9663 56.5500 31.1100 177.6865 110 T 3.8833 8.6051 120.2765 67.1870 68.5621 176.2173 111 N 4.2745 8.1430 117.2356 56.5709 38.6496 177.1905 112 I 3.5910 7.7209 120.4299 64.4550 37.1512 178.2272 113 R 3.7123 8.1184 119.6062 59.5743 29.9237 179.0531 114 V 3.6774 8.0822 112.1059 63.8892 31.4061 178.6069 115 A 3.9137 7.9916 120.9583 55.1336 18.3199 179.4308 116 L 3.5243 8.0178 117.8046 57.8754 41.2410 179.5385 117 E 4.2221 8.4100 118.1971 59.0507 29.8686 178.4571 118 K 4.1196 8.1333 119.7032 59.6331 32.3622 178.4624 119 S 4.1574 8.6798 113.6998 61.7065 62.0873 175.9577 120 F 4.7449 8.7761 122.0913 61.4271 39.0864 176.6949 121 L 4.1350 7.8896 118.0775 57.3409 41.5462 178.8165 122 E 4.2299 7.9933 117.5196 57.9563 29.7106 177.1248 123 N 4.6733 7.6590 116.0503 52.8120 41.9773 174.1447 124 Q 4.1508 8.5487 124.6639 57.2855 29.8553 176.1266 125 K 4.7265 8.1822 116.6920 53.6228 32.2817 174.2607 126 P 4.3666 0.0000 0.0000 63.2584 32.1739 177.5166 127 T 4.2787 9.2618 111.3906 60.9216 71.3702 175.6556 128 S 4.0169 8.6249 115.5568 61.8141 62.0603 176.4483 129 E 3.9554 8.0270 120.6450 59.3449 29.3712 178.6600 130 E 3.9391 7.8498 118.6534 59.3936 29.3550 179.6809 131 I 3.6213 7.8977 119.9205 64.7655 37.2537 178.5100 132 T 3.7667 7.8048 116.5212 66.7337 68.1104 176.4152 133 M 3.9866 8.1831 120.0587 58.6933 32.2733 178.2378 134 I 3.6561 8.0437 120.1003 64.3798 37.3132 178.1385 135 A 3.9719 8.6786 121.9571 55.3774 17.2377 179.2396 136 D 4.2733 8.1872 116.4063 57.4036 41.0508 178.4781 137 Q 4.0345 8.1808 118.0538 59.0461 28.9115 178.4216 138 L 4.0807 7.9752 117.8356 54.8136 42.9004 175.7161 139 N 4.1387 7.6604 115.6768 54.6209 36.6213 172.1021 140 M 4.9168 7.9675 116.7372 52.7763 36.7944 176.2826 141 E 4.2675 8.3790 119.1650 55.7701 31.6923 177.9422 142 K 3.8873 8.6743 123.4133 59.7097 32.1403 178.7984 143 E 3.8729 8.1135 118.8656 59.4317 29.8073 178.4138 144 V 3.6241 7.9846 117.7726 66.6403 31.3171 177.9127 145 I 4.0306 7.9783 119.1528 64.0641 36.8566 178.4270 146 R 4.0330 8.0763 119.8856 59.3567 29.9834 178.6771 147 V 3.5996 8.2312 118.3688 65.8687 31.4944 177.3874 148 W 4.0534 8.3675 128.0845 60.9853 30.4084 177.9323 149 F 4.0483 8.6382 116.7625 60.0986 38.2790 177.7891 150 S 4.2128 7.9559 112.9827 61.1830 62.2569 175.8407 151 N 4.1556 8.4500 119.5762 56.3583 38.0839 177.3577 152 R 3.3385 7.1977 118.7154 59.0326 30.1490 178.4689 153 R 4.2322 7.5473 117.6418 59.1370 30.1587 178.8123 154 Q 3.9682 8.2309 118.2988 58.8877 28.2344 178.8040 155 K 3.8423 8.4735 120.7965 59.2821 31.8682 178.3127 156 E 4.0467 7.6592 118.4770 58.3567 29.6824 177.5514 157 K 4.4650 7.8190 117.2088 55.7269 32.3931 176.1745 158 R 4.5482 7.2070 116.8612 55.4213 31.4999 175.9278 159 I 4.0862 8.0880 122.9254 61.7428 38.1364 174.8804 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 L 8.14 4.25 0.00 1.81 1.85 0.95 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.57 4.76 0.00 2.08 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 2.31 1.86 0.00 8 E 8.50 4.18 0.00 2.06 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 2.24 1.96 0.00 9 L 7.87 4.43 0.00 1.80 1.67 0.94 1.07 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 10 E 7.87 3.87 0.00 2.18 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 2.33 2.60 0.00 11 Q 7.77 4.24 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.68 2.55 0.00 12 F 8.89 4.73 0.00 3.19 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 4.29 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 14 K 8.92 3.98 0.00 1.84 1.86 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 15 T 7.73 3.81 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 1.13 0.00 0.00 16 F 8.09 3.66 0.00 2.53 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 17 K 8.04 4.56 0.00 2.04 1.85 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 18 Q 7.83 3.82 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.39 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 19 R 8.18 3.75 0.00 1.70 1.77 0.00 2.96 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 20 R 8.18 3.76 0.00 1.28 1.95 0.00 3.25 0.00 0.00 3.50 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 21 I 8.32 3.72 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.92 0.00 0.00 22 K 8.10 3.88 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.55 7.81 23 L 7.91 4.07 0.00 1.79 1.95 0.54 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.18 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 25 F 7.98 4.68 0.00 3.08 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 26 T 8.34 4.58 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 1.21 0.00 0.00 27 Q 8.78 4.15 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 28 G 8.07 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 29 D 8.87 4.42 0.00 3.14 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 30 V 8.23 3.08 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 0.53 0.00 0.00 0.52 0.00 0.00 31 G 7.99 3.62 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 0.00 0.00 0.00 32 L 7.96 3.94 0.00 1.80 1.79 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.25 4.03 1.20 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 0.00 0.00 0.00 34 M 8.20 3.82 0.00 2.07 2.36 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 35 G 8.12 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 36 K 8.66 4.49 0.00 1.82 1.77 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.61 7.81 37 L 8.34 3.42 0.00 1.56 1.47 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 9.22 4.16 0.00 2.23 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 39 G 8.16 4.11 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 0.00 0.00 0.00 40 N 7.83 4.72 0.00 2.70 2.71 0.00 0.00 6.93 7.92 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 41 D 7.66 4.75 0.00 2.63 2.45 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 42 F 8.19 4.97 0.00 2.99 2.85 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 43 S 8.63 4.71 0.00 4.02 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 44 Q 8.85 4.00 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 45 T 8.00 3.96 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 T 8.55 3.96 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 1.23 0.00 0.00 47 I 7.87 3.69 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.47 0.97 0.00 0.00 48 S 8.59 4.18 0.00 4.30 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 0.00 49 R 8.14 3.99 0.00 2.20 2.00 0.00 3.22 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 50 F 8.85 3.99 0.00 2.95 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 51 E 8.81 3.81 0.00 2.26 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 2.80 2.72 0.00 52 A 8.09 4.31 1.38 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 0.00 0.00 53 L 8.09 3.48 0.00 1.73 1.70 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.57 4.63 0.00 2.62 2.82 0.00 0.00 7.05 7.77 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 55 L 7.75 4.10 0.00 1.58 1.67 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.19 4.09 0.00 4.07 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 F 8.71 3.70 0.00 3.06 2.91 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 58 K 7.71 3.20 0.00 1.64 1.72 0.00 1.80 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.52 7.81 59 N 7.77 4.30 0.00 2.83 2.96 0.00 0.00 7.29 7.53 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 60 M 8.33 3.89 0.00 1.95 2.29 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 61 S 7.73 4.06 0.00 3.84 3.75 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 62 K 8.14 3.98 0.00 1.69 1.98 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.24 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.45 7.81 63 L 8.49 3.92 0.00 1.68 1.69 0.92 0.56 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 64 K 8.42 4.89 0.00 1.81 1.75 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.41 7.81 65 P 0.00 4.24 0.00 2.08 2.08 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 66 L 7.79 4.29 0.00 1.78 1.58 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.61 4.01 0.00 1.58 1.56 -1.21 0.55 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 68 E 8.83 4.47 0.00 1.52 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 0.00 2.38 2.54 0.00 69 K 8.45 3.98 0.00 1.75 1.80 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.38 1.32 7.81 70 W 8.41 4.29 0.00 3.43 3.53 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 L 8.78 3.03 0.00 2.06 1.96 0.40 0.61 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 72 N 7.97 4.12 0.00 2.76 2.84 0.00 0.00 7.11 7.59 0.00 0.00 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 D 7.82 4.34 0.00 2.85 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 74 A 7.88 3.86 0.34 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 75 E 8.21 3.72 0.00 1.87 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 2.12 2.18 0.00 *102 R 7.27 3.99 0.00 1.70 1.76 0.00 3.13 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 103 K 8.35 4.19 0.00 1.74 1.68 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.41 7.81 104 K 8.64 3.75 0.00 1.73 1.71 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81 105 R 8.51 3.88 0.00 1.80 1.84 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 106 T 8.42 4.12 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 107 S 8.45 4.48 0.00 3.83 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 0.00 108 I 7.92 4.54 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 0.90 0.00 0.00 109 E 8.72 4.07 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 110 T 8.61 3.88 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 1.21 0.00 0.00 111 N 8.14 4.27 0.00 2.71 2.85 0.00 0.00 7.01 7.35 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 0.00 112 I 7.72 3.59 1.94 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 1.47 0.43 0.74 0.00 0.00 113 R 8.12 3.71 0.00 1.88 2.08 0.00 3.28 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 114 V 8.08 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 0.82 0.00 0.00 0.93 0.00 0.00 115 A 7.99 3.91 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 0.00 116 L 8.02 3.52 0.00 0.74 0.13 -0.17 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.41 4.22 0.00 2.10 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 2.41 2.49 0.00 118 K 8.13 4.12 0.00 2.11 1.94 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 119 S 8.68 4.16 0.00 4.02 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 0.00 120 F 8.78 4.74 0.00 3.27 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.89 4.14 0.00 1.94 1.74 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.99 4.23 0.00 2.18 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 2.32 2.38 0.00 123 N 7.66 4.67 0.00 2.60 2.64 0.00 0.00 7.32 6.37 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 0.00 124 Q 8.55 4.15 0.00 1.86 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.17 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 125 K 8.18 4.73 0.00 1.68 1.73 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.34 7.81 126 P 0.00 4.37 0.00 1.82 1.71 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.44 0.00 127 T 9.26 4.28 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 1.22 0.00 0.00 128 S 8.62 4.02 0.00 3.89 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 0.00 129 E 8.03 3.96 0.00 2.03 1.95 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 2.38 2.38 0.00 130 E 7.85 3.94 0.00 1.96 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 2.29 2.30 0.00 131 I 7.90 3.62 2.01 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 1.32 0.86 0.93 0.00 0.00 132 T 7.80 3.77 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 1.20 0.00 0.00 133 M 8.18 3.99 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 134 I 8.04 3.66 2.01 0.00 0.00 0.81 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 0.69 0.95 0.00 0.00 135 A 8.68 3.97 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 0.00 0.00 136 D 8.19 4.27 0.00 2.86 2.87 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 0.00 137 Q 8.18 4.03 0.00 2.19 2.13 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 2.39 2.53 0.00 138 L 7.98 4.08 0.00 1.56 1.67 0.82 1.32 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 0.00 139 N 7.66 4.14 0.00 3.05 2.92 0.00 0.00 6.94 7.53 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 0.00 140 M 7.97 4.92 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 141 E 8.38 4.27 0.00 2.03 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 2.40 2.37 0.00 142 K 8.67 3.89 0.00 1.79 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.46 7.81 143 E 8.11 3.87 0.00 2.14 1.95 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 2.40 2.46 0.00 144 V 7.98 3.62 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 1.08 0.00 0.00 0.96 0.00 0.00 145 I 7.98 4.03 2.11 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.39 1.14 0.00 0.00 146 R 8.08 4.03 0.00 2.11 2.11 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 147 V 8.23 3.60 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 0.87 0.00 0.00 1.01 0.00 0.00 148 W 8.37 4.05 0.00 3.63 3.40 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 0.00 149 F 8.64 4.05 0.00 3.54 3.33 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 0.00 150 S 7.96 4.21 0.00 3.93 3.93 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 0.00 0.00 0.00 151 N 8.45 4.16 0.00 2.37 2.58 0.00 0.00 6.67 7.70 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 0.00 152 R 7.20 3.34 0.00 0.67 1.00 0.00 2.54 0.00 0.00 2.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 7.55 4.23 0.00 2.14 2.03 0.00 3.29 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.16 0.00 154 Q 8.23 3.97 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 155 K 8.47 3.84 0.00 1.62 1.69 0.00 1.43 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.43 7.81 156 E 7.66 4.05 0.00 2.23 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 2.50 2.43 0.00 157 K 7.82 4.47 0.00 1.79 1.96 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.51 7.81 158 R 7.21 4.55 0.00 1.79 1.81 0.00 3.20 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 159 I 8.09 4.09 1.87 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 1.27 0.33 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.