NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 3.8326 8.4449 118.7624 55.5834 30.6070 178.5297 4 F 5.1711 8.8991 110.3298 53.1601 42.8769 172.5927 5 N 5.0752 8.5511 123.2706 51.5185 41.7489 176.5092 6 K 3.9574 8.3286 123.7721 60.2088 31.6366 175.3616 7 D 4.5260 8.1623 120.5103 57.3637 40.7906 179.1302 8 Q 3.5038 8.0254 117.9893 58.5697 28.8876 178.3951 9 L 4.1027 7.7989 122.4355 58.0048 41.5343 179.9062 10 E 3.9792 7.7607 118.3828 60.5977 29.7088 182.3403 11 E 4.1948 7.7591 120.3663 58.9874 29.6260 178.9333 12 F 4.7801 7.9816 117.4507 60.2455 39.1558 177.8626 13 K 3.7715 8.0092 120.9830 59.2947 31.6283 179.5949 14 E 3.9440 8.2227 118.8914 61.2231 29.5632 183.5555 15 A 4.3979 7.5458 119.4131 54.9872 18.6459 179.2324 16 F 4.2301 8.3497 119.2632 61.3031 39.1831 177.0477 17 E 4.2808 8.3010 117.5108 58.3848 29.1811 178.8985 18 L 3.9233 7.4292 117.3922 57.2356 41.7024 177.8934 19 F 4.1543 7.4366 113.7764 57.8451 39.2464 175.3236 20 D 4.4921 7.3960 120.9822 53.7790 39.9867 175.6890 21 R 4.6468 8.2482 127.4886 56.0368 30.9256 177.9008 22 V 4.2191 7.7635 116.3286 63.9226 34.9285 176.5098 23 G 4.0779 8.5445 106.2921 46.1305 0.0000 173.4406 24 D 4.7235 8.4377 117.5569 52.2397 41.0994 176.8746 25 G 4.0258 8.7641 108.4915 45.4346 0.0000 172.3799 26 K 5.3650 7.8899 117.1348 54.4149 36.5862 174.5873 27 I 4.6901 8.3046 116.4774 59.5068 41.7444 175.1644 28 L 4.6970 8.3016 123.4562 54.6371 41.2633 176.4308 29 Y 4.0821 8.8721 119.4861 61.4160 37.2573 179.7808 30 S 4.2226 8.1423 114.5999 61.6390 63.3641 176.4727 31 Q 4.6842 7.8936 122.5277 57.9953 28.1732 178.1671 32 C 4.0364 7.7080 117.2417 62.8220 27.9592 176.4412 33 G 3.5480 7.7190 106.0739 47.8418 0.0000 175.0986 34 D 4.2939 7.9527 121.3601 57.1909 40.7928 178.8099 35 V 3.0845 6.9033 117.6508 66.5073 31.4840 177.6708 36 M 4.0299 7.8374 117.8831 58.8277 31.8439 179.2254 37 R 4.6412 8.0906 118.9950 58.7271 30.0565 178.7262 38 A 4.1572 8.0444 119.8977 54.6259 18.3088 178.3788 39 L 4.5984 7.6941 115.9430 54.7154 43.0042 178.0300 40 G 3.9767 8.0428 108.3694 45.3934 0.0000 174.6634 41 Q 4.4135 7.7282 118.8731 55.5782 30.3028 175.3413 42 N 5.1174 8.1007 114.2817 51.6461 39.3671 173.3830 43 P 4.6681 0.0000 0.0000 62.3728 33.1489 177.4573 44 T 4.1106 8.3965 112.0759 61.5468 70.8205 175.6250 45 N 4.1781 9.2065 121.1331 56.5969 38.5347 177.4380 46 A 3.9278 8.0201 122.0642 55.3544 18.5379 179.1895 47 E 3.8850 7.9424 116.6017 59.8111 29.4790 180.1942 48 V 3.5436 7.8268 117.8509 66.0327 31.7113 178.0488 49 L 4.0046 7.7777 118.5352 57.5741 41.4315 179.2248 50 K 4.1152 8.0240 120.8279 59.2265 31.9022 179.2747 51 V 3.6756 7.1258 110.2458 64.2243 31.4695 178.3252 52 L 4.1231 7.5856 117.6849 55.9137 41.4943 177.7324 53 G 4.0474 8.4093 105.8288 44.6254 0.0000 173.4776 54 N 4.2341 9.1055 116.7996 53.3381 36.3153 172.7772 55 P 4.3233 0.0000 0.0000 63.1640 32.6998 177.6951 56 K 4.2298 8.5211 124.6875 54.8483 32.7995 177.5623 57 S 4.3379 8.7995 121.9095 64.4950 61.8078 178.3410 58 D 4.7122 8.1571 121.9618 57.6774 39.9595 181.1647 59 E 4.7612 8.1197 116.9004 55.8746 30.3918 177.3737 60 L 4.2816 7.3887 119.8928 56.4291 42.2220 176.8871 61 K 4.6546 7.7140 115.8610 56.7067 33.0508 176.4729 62 S 4.5183 7.7861 114.5941 59.0414 66.1720 174.0345 63 R 4.3317 7.8590 122.6367 56.2245 29.9906 181.1219 64 R 5.7326 8.6931 125.6378 54.2196 32.5859 177.1296 65 V 4.7687 8.1098 119.6306 59.9621 36.1165 175.6384 66 D 5.1864 8.9322 124.5698 51.3584 40.5318 177.0634 67 F 3.3228 8.6345 120.7951 60.9380 38.8670 176.8730 68 E 3.9331 8.1729 117.4055 59.6376 29.4132 178.6901 69 T 4.1604 7.3713 114.0648 65.8508 69.0940 176.7084 70 F 4.2592 8.3564 122.9449 60.8104 39.2458 177.0283 71 L 3.1906 7.2583 119.5953 57.5044 41.8225 176.9264 72 P 4.1623 0.0000 0.0000 66.1181 31.0129 178.4573 73 M 3.9159 7.5678 116.7751 58.1650 31.8620 178.3691 74 L 3.6771 7.1384 120.4289 57.8167 42.0697 179.1614 75 Q 4.0286 8.3482 118.3332 59.0023 28.5196 178.2658 76 A 3.9544 7.9170 120.6625 55.4115 18.3990 179.5676 77 V 3.6564 7.3897 115.5565 65.5972 31.9639 177.6241 78 A 4.3070 7.8250 123.0372 55.7532 18.0798 180.4418 79 K 4.6086 7.9219 122.1888 57.4554 32.9488 180.2978 80 N 5.1809 7.7040 115.9768 53.4753 40.0820 177.5263 81 R 4.3036 7.8014 115.3489 57.5028 32.7712 178.3020 *85 T 4.2700 8.2972 113.4116 60.5991 70.1586 171.5439 86 Y 4.0809 8.2385 120.0872 60.7042 41.1347 178.0601 87 E 4.1989 8.5247 121.2374 61.8489 29.7166 181.7055 88 D 4.7899 8.1331 120.8461 57.7552 39.6740 180.0441 89 Y 4.2282 7.9515 116.0309 61.5892 37.8679 177.7435 90 L 4.1937 7.9498 123.3567 58.6474 41.9265 179.2839 91 E 4.1914 8.3046 118.2593 60.6728 29.4214 182.3856 92 G 3.5452 7.5991 105.1586 47.9338 0.0000 175.6931 93 F 4.4898 8.0611 122.3631 60.6228 38.7096 178.6729 94 R 4.1020 7.6393 119.3046 60.9072 29.4482 182.7641 95 V 3.7797 7.0390 116.6819 66.4228 31.2052 177.5622 96 F 4.5906 6.8896 112.6244 57.7862 38.3890 175.2663 97 D 4.6856 7.9778 124.1449 53.4988 41.0705 177.8002 98 K 4.4616 8.2079 135.0000 52.6009 30.7913 172.7139 99 E 4.8327 8.1100 122.2841 57.5510 37.4300 178.9941 100 G 4.1272 8.7121 105.8417 45.2498 0.0000 173.6674 101 N 4.6674 8.2588 116.6100 52.7650 38.3952 177.0809 102 G 3.9070 7.8623 108.7377 46.2191 0.0000 174.3685 103 K 4.5840 7.4927 123.3067 54.5276 32.2535 181.7508 104 V 4.5108 7.9388 124.5411 59.8731 34.7767 175.0572 105 M 4.9102 8.1223 126.0294 55.3673 32.9120 177.8265 106 G 3.5674 8.8280 108.3771 47.8870 0.0000 176.1323 107 A 4.0625 8.0364 125.6532 55.4889 18.6466 179.8390 108 E 4.1312 8.2317 117.9136 60.6849 30.0507 181.4142 109 L 4.2593 7.3756 119.8176 59.5901 41.0555 184.5061 110 R 4.0409 7.6165 118.1029 59.5324 30.4333 178.0241 111 H 4.0406 8.0706 117.6867 59.8833 29.2842 177.3881 112 V 3.5687 7.4563 112.3747 64.4466 31.5682 178.5500 113 L 4.1312 7.8932 117.9433 56.4747 41.2969 178.2445 114 T 4.8642 7.6563 108.9367 60.7458 69.5168 174.6130 115 T 4.6631 7.3940 110.0161 61.0524 69.5539 173.2343 116 L 4.6534 7.8265 119.7406 54.4255 46.8519 179.3553 117 G 3.7221 8.1314 110.0137 47.2412 0.0000 177.1548 118 E 4.2878 8.5620 121.7195 54.2236 27.8628 174.9331 119 K 4.1337 8.2330 121.7961 57.0211 32.7726 175.9174 120 M 4.8191 8.4563 123.4197 53.4793 35.0969 175.8317 121 T 4.0156 8.1700 110.5538 61.5227 69.8199 175.3099 122 E 3.9898 8.8830 123.1808 59.2158 29.6204 179.2081 123 E 4.0001 8.0591 118.5300 59.3541 29.1854 178.6570 124 E 3.9743 7.7862 117.3582 59.5531 29.4130 179.6125 125 V 3.7768 7.8515 117.4298 65.0879 31.2672 177.8595 126 E 4.1048 7.5211 117.9544 59.8360 29.7453 178.4534 127 T 4.0241 7.7258 114.6494 66.5842 68.5088 176.7036 128 V 3.9405 7.4901 121.8202 64.9479 31.6214 178.4719 129 L 5.0748 7.5390 120.8508 55.0758 41.6608 177.7611 130 A 4.4403 7.8736 124.1910 54.3743 17.9900 178.8583 131 G 4.1272 8.9812 111.7212 46.9345 0.0000 173.4104 132 H 4.8360 7.7970 118.6608 56.2561 28.4783 175.8017 133 E 5.0339 8.4578 114.4837 53.9273 33.6877 178.2097 134 D 4.7522 8.5773 125.8944 52.5957 41.1853 176.3981 135 S 4.2821 8.6886 113.9184 61.8355 62.3321 171.5061 136 N 4.5031 8.3038 116.2997 53.6012 38.9582 174.6462 137 G 3.7598 7.9842 108.1462 47.6282 0.0000 173.4597 138 C 5.6090 7.6915 118.1249 56.1664 33.2237 177.1119 139 I 4.5482 7.9254 119.4928 59.0416 39.4348 174.2662 140 N 4.6621 9.0114 129.4972 53.0376 39.2860 175.6275 *141 Y 3.7681 8.7923 132.1342 62.5192 36.8992 175.3317 142 E 4.1647 8.1917 119.0917 61.1404 29.7270 181.2500 143 A 4.2133 7.9450 121.9039 55.1654 18.5784 179.6475 144 F 3.9599 8.0793 118.6284 61.0500 38.8874 177.1855 145 L 4.2205 8.6762 123.0938 58.5856 41.7468 179.6969 146 K 4.2305 8.1558 125.6879 60.7201 31.4590 180.8666 *147 H 4.3908 7.8325 121.3990 60.6756 27.9249 179.8231 148 I 4.0508 7.3952 123.5907 65.3018 35.2825 180.7552 149 L 4.4799 7.4750 120.9291 59.5156 40.9071 180.8042 150 S 4.5685 7.7039 119.2280 58.6593 62.8838 173.9509 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 3 E 8.44 3.83 0.00 1.71 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 2.07 2.25 0.00 4 F 8.90 5.17 0.00 3.15 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 5 N 8.55 5.08 0.00 3.06 2.98 0.00 0.00 7.06 6.45 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 6 K 8.33 3.96 0.00 1.78 1.86 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.10 7.81 7 D 8.16 4.53 0.00 2.91 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 8 Q 8.03 3.50 0.00 2.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 9 L 7.80 4.10 0.00 1.87 1.71 0.99 1.21 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 10 E 7.76 3.98 0.00 1.92 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 2.22 2.18 0.00 11 E 7.76 4.19 0.00 2.01 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 2.50 2.42 0.00 12 F 7.98 4.78 0.00 3.22 3.30 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 13 K 8.01 3.77 0.00 1.05 1.46 0.00 0.97 0.00 0.00 1.39 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.18 0.69 7.81 14 E 8.22 3.94 0.00 2.04 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 2.24 2.19 0.00 15 A 7.55 4.40 1.55 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 0.00 0.00 16 F 8.35 4.23 0.00 3.51 3.29 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 17 E 8.30 4.28 0.00 2.14 2.00 0.00 0.00 0.00 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 2.21 0.00 18 L 7.43 3.92 0.00 1.68 1.41 0.91 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 19 F 7.44 4.15 0.00 2.94 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 20 D 7.40 4.49 0.00 2.53 2.75 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 21 R 8.25 4.65 0.00 1.82 1.90 0.00 3.20 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 22 V 7.76 4.22 2.25 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 0.78 0.00 0.00 0.93 0.00 0.00 23 G 8.54 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.72 0.00 2.80 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 25 G 8.76 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 0.00 0.00 0.00 0.00 26 K 7.89 5.37 0.00 1.79 1.94 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.71 7.81 27 I 8.30 4.69 1.76 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.73 0.32 0.00 0.00 28 L 8.30 4.70 0.00 1.38 1.58 0.92 0.93 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 29 Y 8.87 4.08 0.00 3.02 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 30 S 8.14 4.22 0.00 4.06 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 0.00 31 Q 7.89 4.68 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 32 C 7.71 4.04 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 33 G 7.72 3.55 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 0.00 0.00 0.00 34 D 7.95 4.29 0.00 2.27 2.47 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 35 V 6.90 3.08 1.87 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 0.97 0.00 0.00 0.11 0.00 0.00 36 M 7.84 4.03 0.00 2.04 2.26 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 37 R 8.09 4.64 0.00 1.95 1.99 0.00 3.16 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 38 A 8.04 4.16 1.52 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 39 L 7.69 4.60 0.00 1.60 1.39 1.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.04 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 41 Q 7.73 4.41 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.91 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 42 N 8.10 5.12 0.00 2.71 2.76 0.00 0.00 6.94 8.02 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 43 P 0.00 4.67 0.00 2.17 2.04 0.00 3.77 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 1.98 1.94 0.00 44 T 8.40 4.11 4.42 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 1.20 0.00 0.00 45 N 9.21 4.18 0.00 3.03 2.96 0.00 0.00 7.01 8.10 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 46 A 8.02 3.93 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 47 E 7.94 3.88 0.00 2.30 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 2.34 0.00 48 V 7.83 3.54 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 1.02 0.00 0.00 1.00 0.00 0.00 49 L 7.78 4.00 0.00 2.00 1.73 0.98 0.79 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 50 K 8.02 4.12 0.00 1.83 1.81 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.36 7.81 51 V 7.13 3.68 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 0.82 0.00 0.00 0.91 0.00 0.00 52 L 7.59 4.12 0.00 1.84 1.93 0.94 0.70 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 53 G 8.41 4.05 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 0.00 0.00 0.00 54 N 9.11 4.23 0.00 2.88 2.87 0.00 0.00 6.75 8.07 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 55 P 0.00 4.32 0.00 2.19 2.11 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 56 K 8.52 4.23 0.00 1.71 1.73 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 57 S 8.80 4.34 0.00 3.73 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 58 D 8.16 4.71 0.00 2.77 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 59 E 8.12 4.76 0.00 2.00 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 0.00 2.25 1.83 0.00 60 L 7.39 4.28 0.00 1.90 1.75 1.05 0.58 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 61 K 7.71 4.65 0.00 2.13 1.84 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 0.95 7.81 62 S 7.79 4.52 0.00 3.93 4.05 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 63 R 7.86 4.33 0.00 1.54 1.86 0.00 3.25 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 64 R 8.69 5.73 0.00 1.75 1.95 0.00 3.23 0.00 0.00 4.01 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 65 V 8.11 4.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 66 D 8.93 5.19 0.00 3.16 2.96 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 0.00 0.00 0.00 67 F 8.63 3.32 0.00 2.37 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 68 E 8.17 3.93 0.00 1.99 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 2.37 2.56 0.00 69 T 7.37 4.16 4.31 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 1.25 0.00 0.00 70 F 8.36 4.26 0.00 3.19 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 71 L 7.26 3.19 0.00 1.26 1.32 0.69 0.92 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 72 P 0.00 4.16 0.00 2.09 2.04 0.00 3.57 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 73 M 7.57 3.92 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 74 L 7.14 3.68 0.00 0.52 1.22 0.73 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 8.35 4.03 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 76 A 7.92 3.95 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 77 V 7.39 3.66 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 0.84 0.00 0.00 0.96 0.00 0.00 78 A 7.82 4.31 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 79 K 7.92 4.61 0.00 1.89 1.69 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.32 7.81 80 N 7.70 5.18 0.00 2.72 2.63 0.00 0.00 6.58 7.36 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 81 R 7.80 4.30 0.00 1.76 1.65 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.00 *85 T 8.30 4.27 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 86 Y 8.24 4.08 0.00 2.81 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 87 E 8.52 4.20 0.00 2.01 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 2.31 1.95 0.00 88 D 8.13 4.79 0.00 2.68 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 89 Y 7.95 4.23 0.00 2.82 2.97 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 90 L 7.95 4.19 0.00 1.69 1.89 0.99 1.13 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 91 E 8.30 4.19 0.00 2.06 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 2.24 2.19 0.00 92 G 7.60 3.55 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 0.00 0.00 0.00 93 F 8.06 4.49 0.00 3.12 3.09 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 0.00 0.00 0.00 0.00 94 R 7.64 4.10 0.00 1.90 1.85 0.00 3.28 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 95 V 7.04 3.78 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 0.47 0.00 0.00 0.71 0.00 0.00 96 F 6.89 4.59 0.00 3.22 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 97 D 7.98 4.69 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.21 4.46 0.00 1.81 1.61 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 0.98 7.81 99 E 8.11 4.83 0.00 1.92 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 2.07 1.81 0.00 100 G 8.71 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 0.00 0.00 0.00 101 N 8.26 4.67 0.00 2.77 2.83 0.00 0.00 7.08 7.83 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 0.00 102 G 7.86 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 0.00 103 K 7.49 4.58 0.00 1.54 1.63 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.25 7.81 104 V 7.94 4.51 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 1.02 0.00 0.00 1.06 0.00 0.00 105 M 8.12 4.91 0.00 1.96 1.96 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 2.68 2.34 0.00 106 G 8.83 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 4.06 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 0.00 108 E 8.23 4.13 0.00 1.99 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 2.31 1.94 0.00 109 L 7.38 4.26 0.00 1.74 1.69 0.92 0.83 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 0.00 110 R 7.62 4.04 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 111 H 8.07 4.04 0.00 3.29 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.46 3.57 1.70 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 0.69 0.00 0.00 0.48 0.00 0.00 113 L 7.89 4.13 0.00 1.86 1.67 0.92 0.39 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 0.00 114 T 7.66 4.86 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 1.21 0.00 0.00 115 T 7.39 4.66 4.15 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 0.00 0.00 0.00 1.06 0.00 0.00 116 L 7.83 4.65 0.00 1.80 1.54 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.13 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 0.00 0.00 0.00 118 E 8.56 4.29 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 2.27 2.31 0.00 119 K 8.23 4.13 0.00 1.62 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.59 7.81 120 M 8.46 4.82 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 121 T 8.17 4.02 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 0.00 122 E 8.88 3.99 0.00 2.05 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 2.37 2.38 0.00 123 E 8.06 4.00 0.00 2.10 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 2.40 2.46 0.00 124 E 7.79 3.97 0.00 2.24 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 2.33 0.00 125 V 7.85 3.78 2.19 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 1.03 0.00 0.00 1.00 0.00 0.00 126 E 7.52 4.10 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 127 T 7.73 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 1.23 0.00 0.00 128 V 7.49 3.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 129 L 7.54 5.07 0.00 1.72 1.66 0.92 0.88 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 0.00 130 A 7.87 4.44 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 0.00 131 G 8.98 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 0.00 0.00 0.00 132 H 7.80 4.84 0.00 3.24 3.59 0.00 5.83 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.46 5.03 0.00 1.93 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 2.16 2.07 0.00 134 D 8.58 4.75 0.00 2.76 2.76 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 0.00 135 S 8.69 4.28 0.00 3.68 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 0.00 136 N 8.30 4.50 0.00 2.86 2.90 0.00 0.00 7.06 7.11 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 0.00 137 G 7.98 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 0.00 0.00 0.00 138 C 7.69 5.61 0.00 2.48 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 0.00 139 I 7.93 4.55 1.87 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 1.23 0.52 0.91 0.00 0.00 140 N 9.01 4.66 0.00 2.77 2.77 0.00 0.00 7.79 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 *141 Y 8.79 3.77 0.00 2.36 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 0.00 0.00 0.00 142 E 8.19 4.16 0.00 1.96 2.00 0.00 0.00 0.00 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 1.96 0.00 143 A 7.95 4.21 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 0.00 144 F 8.08 3.96 0.00 3.09 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 0.00 145 L 8.68 4.22 0.00 1.83 1.93 1.25 0.69 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 0.00 146 K 8.16 4.23 0.00 1.82 1.80 0.00 1.88 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 *147 H 7.83 4.39 0.00 2.99 3.03 0.00 7.18 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.40 4.05 1.87 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 1.38 1.10 0.91 0.00 0.00 149 L 7.47 4.48 0.00 1.78 1.61 0.92 0.90 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 0.00 150 S 7.70 4.57 0.00 3.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.